CID 15752299

140373-78-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C8H10N2O3/c9-8(5-11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2

InChIKey

YSLPTGOAVRWPDS-UHFFFAOYSA-N

Compound name

2-amino-2-(3-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 182.06914 Da
Monoisotopic Mass: 0.3
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]+	183.07642	135.4
[M+Na]+	205.05836	146.5
[M+NH4]+	200.10296	142.8
[M+K]+	221.03230	144.7
[M-H]-	181.06186	138.1
[M+Na-2H]-	203.04381	140.7
[M]+	182.06859	137.3
[M]-	182.06969	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe