CID 53946177

Bicyclo[3.2.0]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CCC2(C1)C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)8-4-1-2-6(8)3-5-8/h6H,1-5H2,(H,9,10)
InChIKey
JBFFCPBIYPFIDK-UHFFFAOYSA-N
Compound name
bicyclo[3.2.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.6
[M+Na]+ 163.07294 134.0
[M-H]- 139.07644 131.7
[M+NH4]+ 158.11754 147.5
[M+K]+ 179.04688 135.4
[M+H-H2O]+ 123.08098 120.7
[M+HCOO]- 185.08192 147.5
[M+CH3COO]- 199.09757 173.5
[M+Na-2H]- 161.05839 133.7
[M]+ 140.08317 134.5
[M]- 140.08427 134.5
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