CID 273628

Bicyclo[3.1.0]hexane-3-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C2C1CC(C2)C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-2-4-1-5(4)3-6/h4-6H,1-3H2,(H,8,9)
InChIKey
IEEUSWYDXDXBNK-UHFFFAOYSA-N
Compound name
bicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

126.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.2
[M+Na]+ 149.05730 133.9
[M-H]- 125.06080 128.4
[M+NH4]+ 144.10190 143.6
[M+K]+ 165.03124 131.0
[M+H-H2O]+ 109.06534 119.7
[M+HCOO]- 171.06628 145.0
[M+CH3COO]- 185.08193 172.5
[M+Na-2H]- 147.04275 129.0
[M]+ 126.06753 125.2
[M]- 126.06863 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

No literature data available for this compound.

Patent stripe

patents stripe