CID 14143354

Bicyclo[4.1.0]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CC2C(C1)C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-7H,1-4H2,(H,9,10)
InChIKey
GLXHXEBIYOIZKX-UHFFFAOYSA-N
Compound name
bicyclo[4.1.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.4
[M+Na]+ 163.07294 136.8
[M-H]- 139.07644 132.3
[M+NH4]+ 158.11754 145.6
[M+K]+ 179.04688 134.3
[M+H-H2O]+ 123.08098 123.3
[M+HCOO]- 185.08192 147.1
[M+CH3COO]- 199.09757 175.7
[M+Na-2H]- 161.05839 134.0
[M]+ 140.08317 127.8
[M]- 140.08427 127.8
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