CID 132343843

2138164-56-2

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1CC2(CC1C2C(=O)O)C3=CC=NC=C3
InChI
InChI=1S/C12H13NO2/c14-11(15)10-8-1-4-12(10,7-8)9-2-5-13-6-3-9/h2-3,5-6,8,10H,1,4,7H2,(H,14,15)
InChIKey
YJGOEWGSUQCYMG-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylbicyclo[2.1.1]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 149.1
[M+Na]+ 226.08386 155.3
[M-H]- 202.08736 151.2
[M+NH4]+ 221.12846 168.7
[M+K]+ 242.05780 155.1
[M+H-H2O]+ 186.09190 140.7
[M+HCOO]- 248.09284 165.0
[M+CH3COO]- 262.10849 160.8
[M+Na-2H]- 224.06931 155.0
[M]+ 203.09409 160.7
[M]- 203.09519 160.7
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.