CID 95878

1,2-dimethyl-3-phenylaziridine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1C(N1C)C2=CC=CC=C2

InChI

InChI=1S/C10H13N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

MKCZABZZOZOQTK-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3-phenylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 21
Patents: 147.1048 Da
Monoisotopic Mass: 2.0
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]+	148.112076	132.2
[M+Na]+	170.094018	143.0
[M-H]-	146.097524	138.9
[M+NH4]+	165.138623	148.0
[M+K]+	186.067958	139.9
[M+H-H2O]+	130.102060	125.2
[M+HCOO]-	192.103001	155.8
[M+CH3COO]-	206.118651	181.2
[M+Na-2H]-	168.079466	138.9
[M]+	147.10425142	134.7
[M]-	147.10534858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.