CID 124554

2-amino-6-nitrobenzyl alcohol

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

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

InChIKey

BSQXKAWQRQDMAK-UHFFFAOYSA-N

Compound name

(2-amino-6-nitrophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 168.0535 Da
Monoisotopic Mass: 0.7
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	130.1
[M+Na]+	191.04272	137.7
[M-H]-	167.04622	132.7
[M+NH4]+	186.08732	148.9
[M+K]+	207.01666	131.7
[M+H-H2O]+	151.05076	129.2
[M+HCOO]-	213.05170	155.7
[M+CH3COO]-	227.06735	172.1
[M+Na-2H]-	189.02817	137.7
[M]+	168.05295	126.8
[M]-	168.05405	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe