CID 43970

Ethyl n-nitrocarbamate

Structural Information

Molecular Formula
C3H6N2O4
SMILES
CCOC(=O)N[N+](=O)[O-]
InChI
InChI=1S/C3H6N2O4/c1-2-9-3(6)4-5(7)8/h2H2,1H3,(H,4,6)
InChIKey
YSJKYAHYBFJVKV-UHFFFAOYSA-N
Compound name
ethyl N-nitrocarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

134.03276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04004 121.8
[M+Na]+ 157.02198 128.7
[M-H]- 133.02548 122.6
[M+NH4]+ 152.06658 142.5
[M+K]+ 172.99592 126.1
[M+H-H2O]+ 117.03002 121.6
[M+HCOO]- 179.03096 148.6
[M+CH3COO]- 193.04661 166.2
[M+Na-2H]- 155.00743 130.4
[M]+ 134.03221 121.3
[M]- 134.03331 121.3
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.