CID 144449

1-benzyl-3,3-dimethyldiaziridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1(NN1CC2=CC=CC=C2)C

InChI

InChI=1S/C10H14N2/c1-10(2)11-12(10)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

InChIKey

SWKFOOZRVOSPAU-UHFFFAOYSA-N

Compound name

1-benzyl-3,3-dimethyldiaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.11569 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]+	163.122966	140.6
[M+Na]+	185.104908	150.9
[M-H]-	161.108414	144.5
[M+NH4]+	180.149513	155.4
[M+K]+	201.078848	147.4
[M+H-H2O]+	145.112950	133.6
[M+HCOO]-	207.113891	161.2
[M+CH3COO]-	221.129541	179.8
[M+Na-2H]-	183.090356	148.2
[M]+	162.11514142	141.8
[M]-	162.11623858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.