CID 73254

(1s,3s,8s,2r)-2-hydroxy-1,8-dimethyl-7-methylenebicyclo[4.4.0]decane-2,3-dicarbaldehyde

Structural Information

Molecular Formula
C15H22O3
SMILES
C[C@H]1CC[C@]2(C(C1=C)CC[C@@H](C2(C=O)O)C=O)C
InChI
InChI=1S/C15H22O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h8-10,12-13,18H,2,4-7H2,1,3H3/t10-,12+,13?,14-,15?/m0/s1
InChIKey
CJPOKXPNUYKFFE-RRBPUZQUSA-N
Compound name
(2S,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylidene-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 155.4
[M+Na]+ 273.14611 162.6
[M-H]- 249.14961 158.1
[M+NH4]+ 268.19071 177.4
[M+K]+ 289.12005 159.0
[M+H-H2O]+ 233.15415 151.4
[M+HCOO]- 295.15509 170.1
[M+CH3COO]- 309.17074 193.8
[M+Na-2H]- 271.13156 158.4
[M]+ 250.15634 151.8
[M]- 250.15744 151.8
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.