CID 10942384

3-cyano-2-methylpropanoic acid

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC(CC#N)C(=O)O
InChI
InChI=1S/C5H7NO2/c1-4(2-3-6)5(7)8/h4H,2H2,1H3,(H,7,8)
InChIKey
LMEKMWZJKGZZLR-UHFFFAOYSA-N
Compound name
3-cyano-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

113.047676 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 122.4
[M+Na]+ 136.03689 131.5
[M+NH4]+ 131.08150 126.2
[M+K]+ 152.01083 124.9
[M-H]- 112.04040 113.8
[M+Na-2H]- 134.02234 123.2
[M]+ 113.04713 120.1
[M]- 113.04822 120.1
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

patents stripe