CID 4153325

21719-28-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1CN1CC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N2O3/c13-10(7-11-5-6-11)8-1-3-9(4-2-8)12(14)15/h1-4,10,13H,5-7H2

InChIKey

JVKAAEKOBOXXEW-UHFFFAOYSA-N

Compound name

2-(aziridin-1-yl)-1-(4-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.0848 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]+	209.09208	139.2
[M+Na]+	231.07402	147.0
[M-H]-	207.07752	144.2
[M+NH4]+	226.11862	150.5
[M+K]+	247.04796	139.7
[M+H-H2O]+	191.08206	136.6
[M+HCOO]-	253.08300	161.8
[M+CH3COO]-	267.09865	181.5
[M+Na-2H]-	229.05947	146.5
[M]+	208.08425	139.1
[M]-	208.08535	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe