CID 15886999

(e)-3-[(1as,4ar,7r,8ar)-1a,4a-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphtho[1,8a-b]oxiren-7-yl]prop-2-enoic acid

Structural Information

Molecular Formula
C15H22O3
SMILES
C[C@]12CCC[C@]3([C@@]1(O3)C[C@@H](CC2)/C=C/C(=O)O)C
InChI
InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14+,15-/m1/s1
InChIKey
CZFYTAOSDOKUHD-OHSMQCEASA-N
Compound name
(E)-3-[(1aS,4aR,7R,8aR)-1a,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-7-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 160.7
[M+Na]+ 273.14611 167.9
[M-H]- 249.14961 165.9
[M+NH4]+ 268.19071 178.2
[M+K]+ 289.12005 167.6
[M+H-H2O]+ 233.15415 156.4
[M+HCOO]- 295.15509 172.3
[M+CH3COO]- 309.17074 194.1
[M+Na-2H]- 271.13156 166.9
[M]+ 250.15634 161.3
[M]- 250.15744 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.