CID 104008

Dansylaziridine

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CC3

InChI

InChI=1S/C14H16N2O2S/c1-15(2)13-7-3-6-12-11(13)5-4-8-14(12)19(17,18)16-9-10-16/h3-8H,9-10H2,1-2H3

InChIKey

LSKWDEYBJACPBB-UHFFFAOYSA-N

Compound name

5-(aziridin-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 439
Patents: 276.09326 Da
Monoisotopic Mass: 2.4
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]+	277.100536	160.8
[M+Na]+	299.082478	170.9
[M-H]-	275.085984	169.0
[M+NH4]+	294.127083	172.9
[M+K]+	315.056418	166.6
[M+H-H2O]+	259.090520	153.2
[M+HCOO]-	321.091461	178.3
[M+CH3COO]-	335.107111	204.5
[M+Na-2H]-	297.067926	166.2
[M]+	276.09271142	167.0
[M]-	276.09380858	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe