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

1
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 128.6
[M+Na]+ 163.072938 134.0
[M-H]- 139.076444 131.7
[M+NH4]+ 158.117543 147.5
[M+K]+ 179.046878 135.4
[M+H-H2O]+ 123.080980 120.7
[M+HCOO]- 185.081921 147.5
[M+CH3COO]- 199.097571 173.5
[M+Na-2H]- 161.058386 133.7
[M]+ 140.08317142 134.5
[M]- 140.08426858 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