CID 60703879

2138204-41-6

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1=CC(=C(C=C1CN)[N+](=O)[O-])O

InChI

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

InChIKey

KIJGPVLYVMYULD-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.0535 Da
Monoisotopic Mass: 0.9
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

literature stripe

Patent stripe

No patent data available for this compound.