CID 95943

2610-62-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.08699	146.6
[M+Na]+	247.06893	157.4
[M+NH4]+	242.11353	153.2
[M+K]+	263.04287	155.8
[M-H]-	223.07243	148.9
[M+Na-2H]-	245.05438	151.6
[M]+	224.07916	148.4
[M]-	224.08026	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe