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

47
Patents

168.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.8
[M+Na]+ 191.104258 141.0
[M-H]- 167.107764 137.9
[M+NH4]+ 186.148863 143.4
[M+K]+ 207.078198 141.0
[M+H-H2O]+ 151.112300 133.0
[M+HCOO]- 213.113241 144.2
[M+CH3COO]- 227.128891 221.4
[M+Na-2H]- 189.089706 137.2
[M]+ 168.11449142 135.6
[M]- 168.11558858 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