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: 406
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]+	277.10054	164.4
[M+Na]+	299.08248	178.6
[M+NH4]+	294.12708	173.4
[M+K]+	315.05642	171.7
[M-H]-	275.08598	174.9
[M+Na-2H]-	297.06793	173.9
[M]+	276.09271	171.1
[M]-	276.09381	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe