CID 83271

13256-11-6

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CN(CCC1=CC=CC=C1)N=O

InChI

InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

AVESHLVLHJKUKQ-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-phenylethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 7
Patents: 164.09496 Da
Monoisotopic Mass: 2.1
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]+	165.102236	133.5
[M+Na]+	187.084178	139.9
[M-H]-	163.087684	139.8
[M+NH4]+	182.128783	154.7
[M+K]+	203.058118	140.2
[M+H-H2O]+	147.092220	126.4
[M+HCOO]-	209.093161	162.5
[M+CH3COO]-	223.108811	188.4
[M+Na-2H]-	185.069626	142.0
[M]+	164.09441142	135.7
[M]-	164.09550858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe