CID 137944602

2287249-34-5

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC[C@H]2C[C@H]([C@H]2CC1)C(=O)O
InChI
InChI=1S/C10H16O2/c11-10(12)9-6-7-4-2-1-3-5-8(7)9/h7-9H,1-6H2,(H,11,12)/t7-,8-,9+/m0/s1
InChIKey
QAIPNVKCPICYDX-XHNCKOQMSA-N
Compound name
(1S,7S,8R)-bicyclo[5.2.0]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 132.2
[M+Na]+ 191.10426 134.5
[M-H]- 167.10776 135.7
[M+NH4]+ 186.14886 145.4
[M+K]+ 207.07820 138.7
[M+H-H2O]+ 151.11230 124.7
[M+HCOO]- 213.11324 147.9
[M+CH3COO]- 227.12889 183.1
[M+Na-2H]- 189.08971 135.7
[M]+ 168.11449 133.5
[M]- 168.11559 133.5
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.