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

27
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 130.8
[M+Na]+ 163.072938 139.0
[M-H]- 139.076444 134.6
[M+NH4]+ 158.117543 149.5
[M+K]+ 179.046878 137.4
[M+H-H2O]+ 123.080980 126.4
[M+HCOO]- 185.081921 149.1
[M+CH3COO]- 199.097571 174.1
[M+Na-2H]- 161.058386 137.8
[M]+ 140.08317142 130.2
[M]- 140.08426858 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