CID 28834

17918-11-5

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CN1CC(C2=CC=CC=C2)O

InChI

InChI=1S/C10H13NO/c12-10(8-11-6-7-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

InChIKey

LYWIFGDFJLWXHK-UHFFFAOYSA-N

Compound name

2-(aziridin-1-yl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 163.09972 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]+	164.10700	135.4
[M+Na]+	186.08894	143.7
[M-H]-	162.09244	140.2
[M+NH4]+	181.13354	149.2
[M+K]+	202.06288	140.6
[M+H-H2O]+	146.09698	128.2
[M+HCOO]-	208.09792	156.9
[M+CH3COO]-	222.11357	179.3
[M+Na-2H]-	184.07439	141.9
[M]+	163.09917	136.2
[M]-	163.10027	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe