CID 2990

Dephostatin

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3

InChIKey

HCJOLYFWJWJPTJ-UHFFFAOYSA-N

Compound name

N-(2,5-dihydroxyphenyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 43
References: 276
Patents: 168.0535 Da
Monoisotopic Mass: 1.0
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]+	169.06078	132.0
[M+Na]+	191.04272	142.8
[M+NH4]+	186.08732	139.4
[M+K]+	207.01666	138.8
[M-H]-	167.04622	134.1
[M+Na-2H]-	189.02817	138.3
[M]+	168.05295	133.8
[M]-	168.05405	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe