CID 130124782

3-[benzyl(nitroso)amino]propan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)CN(CCCO)N=O

InChI

InChI=1S/C10H14N2O2/c13-8-4-7-12(11-14)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2

InChIKey

DQHMLICULHVJAV-UHFFFAOYSA-N

Compound name

N-benzyl-N-(3-hydroxypropyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 1.4
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	141.4
[M+Na]+	217.094748	146.9
[M-H]-	193.098254	146.0
[M+NH4]+	212.139353	160.6
[M+K]+	233.068688	146.5
[M+H-H2O]+	177.102790	134.1
[M+HCOO]-	239.103731	168.8
[M+CH3COO]-	253.119381	190.8
[M+Na-2H]-	215.080196	148.9
[M]+	194.10498142	143.5
[M]-	194.10607858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.