CID 13462466

Bicyclo[4.1.0]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC2(CC2C1)C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)8-4-2-1-3-6(8)5-8/h6H,1-5H2,(H,9,10)
InChIKey
WAKHDNBPGJZLGE-UHFFFAOYSA-N
Compound name
bicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 130.8
[M+Na]+ 163.07294 139.0
[M-H]- 139.07644 134.6
[M+NH4]+ 158.11754 149.5
[M+K]+ 179.04688 137.4
[M+H-H2O]+ 123.08098 126.4
[M+HCOO]- 185.08192 149.1
[M+CH3COO]- 199.09757 174.1
[M+Na-2H]- 161.05839 137.8
[M]+ 140.08317 130.2
[M]- 140.08427 130.2
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