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]+ 130.049866 124.0
[M+Na]+ 152.031808 132.9
[M-H]- 128.035314 124.0
[M+NH4]+ 147.076413 143.3
[M+K]+ 168.005748 133.5
[M+H-H2O]+ 112.039850 113.2
[M+HCOO]- 174.040791 142.5
[M+CH3COO]- 188.056441 182.3
[M+Na-2H]- 150.017256 128.7
[M]+ 129.04204142 120.3
[M]- 129.04313858 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.