CID 11029869

Methyl 3-cyano-2-hydroxypropanoate

Structural Information

Molecular Formula
C5H7NO3
SMILES
COC(=O)C(CC#N)O
InChI
InChI=1S/C5H7NO3/c1-9-5(8)4(7)2-3-6/h4,7H,2H2,1H3
InChIKey
NFERFOWSDQDXBZ-UHFFFAOYSA-N
Compound name
methyl 3-cyano-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.0
[M+Na]+ 152.03181 132.9
[M-H]- 128.03531 124.0
[M+NH4]+ 147.07641 143.3
[M+K]+ 168.00575 133.5
[M+H-H2O]+ 112.03985 113.2
[M+HCOO]- 174.04079 142.5
[M+CH3COO]- 188.05644 182.3
[M+Na-2H]- 150.01726 128.7
[M]+ 129.04204 120.3
[M]- 129.04314 120.3
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.