CID 301545

Bicyclo[6.1.0]nonane-9-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCCC2C(C2C(=O)O)CC1
InChI
InChI=1S/C10H16O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h7-9H,1-6H2,(H,11,12)
InChIKey
XUKCHICEVHGMOO-UHFFFAOYSA-N
Compound name
bicyclo[6.1.0]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

168.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.8
[M+Na]+ 191.10426 141.0
[M-H]- 167.10776 137.9
[M+NH4]+ 186.14886 143.4
[M+K]+ 207.07820 141.0
[M+H-H2O]+ 151.11230 133.0
[M+HCOO]- 213.11324 144.2
[M+CH3COO]- 227.12889 221.4
[M+Na-2H]- 189.08971 137.2
[M]+ 168.11449 135.6
[M]- 168.11559 135.6
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

patents stripe