CID 170452684

2659259-65-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN(CCC(C1=CC=CC=C1)O)N=O

InChI

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

InChIKey

PBZDQZIBWYIGIZ-UHFFFAOYSA-N

Compound name

N-(3-hydroxy-3-phenylpropyl)-N-methylnitrous 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	142.2
[M+Na]+	217.094748	147.4
[M-H]-	193.098254	146.9
[M+NH4]+	212.139353	161.3
[M+K]+	233.068688	147.5
[M+H-H2O]+	177.102790	135.0
[M+HCOO]-	239.103731	168.6
[M+CH3COO]-	253.119381	191.6
[M+Na-2H]-	215.080196	148.4
[M]+	194.10498142	143.7
[M]-	194.10607858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.