CID 12523696

Bicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2CC2(C1)C(=O)O
InChI
InChI=1S/C7H10O2/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H,8,9)
InChIKey
LDJAXCFOBFPUGI-UHFFFAOYSA-N
Compound name
bicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 128.8
[M+Na]+ 149.05730 139.5
[M+NH4]+ 144.10190 139.6
[M+K]+ 165.03124 136.0
[M-H]- 125.06080 136.1
[M+Na-2H]- 147.04275 135.8
[M]+ 126.06753 133.5
[M]- 126.06863 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

literature stripe

Patent stripe

patents stripe