CID 53621262

Methyl n-[4-(2-aminoethyl)phenyl]carbamate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

COC(=O)NC1=CC=C(C=C1)CCN

InChI

InChI=1S/C10H14N2O2/c1-14-10(13)12-9-4-2-8(3-5-9)6-7-11/h2-5H,6-7,11H2,1H3,(H,12,13)

InChIKey

OMQBCXRPYILNFQ-UHFFFAOYSA-N

Compound name

methyl N-[4-(2-aminoethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.10553 Da
Monoisotopic Mass: 1.2
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]+	195.112806	142.6
[M+Na]+	217.094748	148.9
[M-H]-	193.098254	145.8
[M+NH4]+	212.139353	161.3
[M+K]+	233.068688	147.2
[M+H-H2O]+	177.102790	136.0
[M+HCOO]-	239.103731	167.9
[M+CH3COO]-	253.119381	187.4
[M+Na-2H]-	215.080196	147.8
[M]+	194.10498142	142.1
[M]-	194.10607858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe