CID 171120088

Dihydrosporogen-ao-1

Structural Information

Molecular Formula
C15H22O3
SMILES
C[C@H]1[C@@H](CCC2=CC([C@]3([C@@H]([C@]12C)O3)C(=C)C)O)O
InChI
InChI=1S/C15H22O3/c1-8(2)15-12(17)7-10-5-6-11(16)9(3)14(10,4)13(15)18-15/h7,9,11-13,16-17H,1,5-6H2,2-4H3/t9-,11+,12?,13+,14+,15-/m0/s1
InChIKey
CHWPMFMUQATVNK-KZZSROTISA-N
Compound name
(1aS,6R,7R,7aR,7bR)-7,7a-dimethyl-1a-prop-1-en-2-yl-2,4,5,6,7,7b-hexahydronaphtho[1,2-b]oxirene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 157.4
[M+Na]+ 273.14611 167.0
[M-H]- 249.14961 161.6
[M+NH4]+ 268.19071 173.7
[M+K]+ 289.12005 164.8
[M+H-H2O]+ 233.15415 153.7
[M+HCOO]- 295.15509 168.6
[M+CH3COO]- 309.17074 196.5
[M+Na-2H]- 271.13156 162.1
[M]+ 250.15634 159.2
[M]- 250.15744 159.2
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.