CID 94442

Dansyl hydrazine

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3

InChIKey

KPQYDVAFRDWIBW-UHFFFAOYSA-N

Compound name

5-(dimethylamino)naphthalene-1-sulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 81
References: 614
Patents: 265.0885 Da
Monoisotopic Mass: 1.7
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]+	266.09578	155.3
[M+Na]+	288.07772	162.9
[M-H]-	264.08122	160.8
[M+NH4]+	283.12232	173.0
[M+K]+	304.05166	159.7
[M+H-H2O]+	248.08576	148.4
[M+HCOO]-	310.08670	175.3
[M+CH3COO]-	324.10235	204.6
[M+Na-2H]-	286.06317	161.7
[M]+	265.08795	157.1
[M]-	265.08905	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe