CID 55303447

4-methylbicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC12CCC(C1)(C2)C(=O)O
InChI
InChI=1S/C8H12O2/c1-7-2-3-8(4-7,5-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
PZLUGBKGKCVUOM-UHFFFAOYSA-N
Compound name
4-methylbicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.4
[M+Na]+ 163.07294 130.2
[M+NH4]+ 158.11754 135.8
[M+K]+ 179.04688 127.6
[M-H]- 139.07644 122.0
[M+Na-2H]- 161.05839 126.0
[M]+ 140.08317 125.1
[M]- 140.08427 125.1
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

No patent data available for this compound.