CID 17206

Methyl nitroacetate

Structural Information

Molecular Formula
C3H5NO4
SMILES
COC(=O)C[N+](=O)[O-]
InChI
InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
InChIKey
ALBSWLMUHHZLLR-UHFFFAOYSA-N
Compound name
methyl 2-nitroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

275
Patents

119.02186 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02914 118.6
[M+Na]+ 142.01108 126.5
[M-H]- 118.01458 119.6
[M+NH4]+ 137.05568 140.4
[M+K]+ 157.98502 124.0
[M+H-H2O]+ 102.01912 119.0
[M+HCOO]- 164.02006 144.5
[M+CH3COO]- 178.03571 162.2
[M+Na-2H]- 139.99653 126.9
[M]+ 119.02131 119.2
[M]- 119.02241 119.2
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.