CID 151241

Exo-bicyclo(3.1.0)hexane-6-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2C(C1)C2C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5(4)6/h4-6H,1-3H2,(H,8,9)
InChIKey
KPNFHMCCBRGOKU-UHFFFAOYSA-N
Compound name
bicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

192
Patents

126.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.2
[M+Na]+ 149.057298 133.9
[M-H]- 125.060804 128.4
[M+NH4]+ 144.101903 143.6
[M+K]+ 165.031238 131.0
[M+H-H2O]+ 109.065340 119.7
[M+HCOO]- 171.066281 145.0
[M+CH3COO]- 185.081931 172.5
[M+Na-2H]- 147.042746 129.0
[M]+ 126.06753142 125.2
[M]- 126.06862858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe