CID 67281

2-(n-ethyl-p-nitrosoanilino)ethanol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCN(CCO)C1=CC=C(C=C1)N=O

InChI

InChI=1S/C10H14N2O2/c1-2-12(7-8-13)10-5-3-9(11-14)4-6-10/h3-6,13H,2,7-8H2,1H3

InChIKey

WTHFJLCKIHUWBL-UHFFFAOYSA-N

Compound name

2-(N-ethyl-4-nitrosoanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 194.10553 Da
Monoisotopic Mass: 1.5
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	141.3
[M+Na]+	217.094748	147.8
[M-H]-	193.098254	146.3
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	147.4
[M+H-H2O]+	177.102790	134.3
[M+HCOO]-	239.103731	168.7
[M+CH3COO]-	253.119381	191.9
[M+Na-2H]-	215.080196	148.0
[M]+	194.10498142	143.8
[M]-	194.10607858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe