CID 95943

Isopropyl n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC(C)OC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O4/c1-7(2)16-10(13)11-8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKey
FLLAOLGEPZPDGF-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.07971 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.6
[M+Na]+ 247.06893 152.1
[M-H]- 223.07243 150.3
[M+NH4]+ 242.11353 163.6
[M+K]+ 263.04287 147.6
[M+H-H2O]+ 207.07697 144.7
[M+HCOO]- 269.07791 171.7
[M+CH3COO]- 283.09356 184.8
[M+Na-2H]- 245.05438 152.5
[M]+ 224.07916 146.0
[M]- 224.08026 146.0
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

patents stripe