CID 92297

N-nitrosophenmetrazine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CC1C(OCCN1N=O)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2O2/c1-9-11(10-5-3-2-4-6-10)15-8-7-13(9)12-14/h2-6,9,11H,7-8H2,1H3

InChIKey

AUJFBAMBAVQREK-UHFFFAOYSA-N

Compound name

3-methyl-4-nitroso-2-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 206.10553 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]+	207.112806	144.4
[M+Na]+	229.094748	151.0
[M-H]-	205.098254	151.4
[M+NH4]+	224.139353	160.9
[M+K]+	245.068688	150.5
[M+H-H2O]+	189.102790	136.1
[M+HCOO]-	251.103731	166.4
[M+CH3COO]-	265.119381	189.6
[M+Na-2H]-	227.080196	151.3
[M]+	206.10498142	143.3
[M]-	206.10607858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe