CID 79892

4-nitrophenyl methylcarbamate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
CNC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-9-8(11)14-7-4-2-6(3-5-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
CKMRVKWJCOOIFK-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

148
Patents

196.0484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.1
[M+Na]+ 219.03762 143.7
[M-H]- 195.04112 141.1
[M+NH4]+ 214.08222 155.3
[M+K]+ 235.01156 139.2
[M+H-H2O]+ 179.04566 135.4
[M+HCOO]- 241.04660 163.8
[M+CH3COO]- 255.06225 177.9
[M+Na-2H]- 217.02307 145.2
[M]+ 196.04785 136.4
[M]- 196.04895 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

literature stripe

Patent stripe

patents stripe