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]+ 169.122316 132.2
[M+Na]+ 191.104258 134.5
[M-H]- 167.107764 135.7
[M+NH4]+ 186.148863 145.4
[M+K]+ 207.078198 138.7
[M+H-H2O]+ 151.112300 124.7
[M+HCOO]- 213.113241 147.9
[M+CH3COO]- 227.128891 183.1
[M+Na-2H]- 189.089706 135.7
[M]+ 168.11449142 133.5
[M]- 168.11558858 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.