CID 12706147

Bicyclo[2.2.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C1CC2)C(=O)O
InChI
InChI=1S/C7H10O2/c8-6(9)7-3-1-5(7)2-4-7/h5H,1-4H2,(H,8,9)
InChIKey
HUAGBTZSWQQUDJ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 121.7
[M+Na]+ 149.05730 126.4
[M-H]- 125.06080 125.1
[M+NH4]+ 144.10190 132.3
[M+K]+ 165.03124 131.0
[M+H-H2O]+ 109.06534 109.9
[M+HCOO]- 171.06628 138.7
[M+CH3COO]- 185.08193 182.7
[M+Na-2H]- 147.04275 128.3
[M]+ 126.06753 136.7
[M]- 126.06863 136.7
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