CID 74752

Methyl (4-nitrophenyl)carbamate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-14-8(11)9-6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
DAWCBJXIGOELKF-UHFFFAOYSA-N
Compound name
methyl N-(4-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

196.0484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.055676 137.1
[M+Na]+ 219.037618 143.7
[M-H]- 195.041124 141.1
[M+NH4]+ 214.082223 155.3
[M+K]+ 235.011558 139.2
[M+H-H2O]+ 179.045660 135.4
[M+HCOO]- 241.046601 163.8
[M+CH3COO]- 255.062251 177.9
[M+Na-2H]- 217.023066 145.2
[M]+ 196.04785142 136.4
[M]- 196.04894858 136.4
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.