CID 54503076

Ns00116884

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c10-6-9(8-11)7-4-2-1-3-5-7/h1-5,10H,6H2

InChIKey

YDUKDBWXYYKCDO-UHFFFAOYSA-N

Compound name

N-(hydroxymethyl)-N-phenylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: 1.2
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]+	153.06586	127.4
[M+Na]+	175.04780	134.3
[M-H]-	151.05130	132.7
[M+NH4]+	170.09240	148.3
[M+K]+	191.02174	134.6
[M+H-H2O]+	135.05584	120.8
[M+HCOO]-	197.05678	155.9
[M+CH3COO]-	211.07243	181.6
[M+Na-2H]-	173.03325	136.6
[M]+	152.05803	128.5
[M]-	152.05913	128.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.