CID 3047321

2-aziridinemethanol, 1-(phenylmethyl)-

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(N1CC2=CC=CC=C2)CO

InChI

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

InChIKey

DPBAAKVXOTVUJT-UHFFFAOYSA-N

Compound name

(1-benzylaziridin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 163.09972 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]+	164.106996	135.7
[M+Na]+	186.088938	145.2
[M-H]-	162.092444	140.7
[M+NH4]+	181.133543	149.8
[M+K]+	202.062878	141.5
[M+H-H2O]+	146.096980	128.6
[M+HCOO]-	208.097921	158.1
[M+CH3COO]-	222.113571	179.5
[M+Na-2H]-	184.074386	142.6
[M]+	163.09917142	137.5
[M]-	163.10026858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe