CID 23360961

2-cyclobutylpropanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C1CCC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5(7(8)9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
RHFMBAUXLFDCJS-UHFFFAOYSA-N
Compound name
2-cyclobutylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

128.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.4
[M+Na]+ 151.07294 131.7
[M-H]- 127.07644 129.4
[M+NH4]+ 146.11754 142.0
[M+K]+ 167.04688 134.5
[M+H-H2O]+ 111.08098 117.5
[M+HCOO]- 173.08192 146.3
[M+CH3COO]- 187.09757 174.0
[M+Na-2H]- 149.05839 130.5
[M]+ 128.08317 133.7
[M]- 128.08427 133.7
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.