CID 54198

2-amino-4-nitrobenzenemethanol

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N)CO

InChI

InChI=1S/C7H8N2O3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4,8H2

InChIKey

NFOINKSCQYECSI-UHFFFAOYSA-N

Compound name

(2-amino-4-nitrophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 168.0535 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]+	169.06078	130.6
[M+Na]+	191.04272	142.8
[M+NH4]+	186.08732	138.4
[M+K]+	207.01666	140.5
[M-H]-	167.04622	133.7
[M+Na-2H]-	189.02817	136.4
[M]+	168.05295	132.9
[M]-	168.05405	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe