CID 22825

5-(diethylamino)-2-nitrosophenol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-3-12(4-2)8-5-6-9(11-14)10(13)7-8/h5-7,13H,3-4H2,1-2H3

InChIKey

NXYYRSJPSPRDEO-UHFFFAOYSA-N

Compound name

5-(diethylamino)-2-nitrosophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 673
Patents: 194.10553 Da
Monoisotopic Mass: 2.3
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	141.0
[M+Na]+	217.094748	148.5
[M-H]-	193.098254	146.5
[M+NH4]+	212.139353	160.9
[M+K]+	233.068688	148.1
[M+H-H2O]+	177.102790	134.3
[M+HCOO]-	239.103731	168.4
[M+CH3COO]-	253.119381	193.1
[M+Na-2H]-	215.080196	147.1
[M]+	194.10498142	144.0
[M]-	194.10607858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe