CID 69451

Nsc 4666

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2

InChIKey

JEPCLNGRAIMPQV-UHFFFAOYSA-N

Compound name

2-aminobenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 1485
Patents: 125.047676 Da
Monoisotopic Mass: 0.5
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]+	126.05495	121.4
[M+Na]+	148.03689	133.1
[M+NH4]+	143.08150	129.6
[M+K]+	164.01083	128.4
[M-H]-	124.04040	123.0
[M+Na-2H]-	146.02234	127.6
[M]+	125.04713	123.3
[M]-	125.04822	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe