CID 8808

Fenaminosulf

Structural Information

Molecular Formula

C₈H₁₁N₃O₃S

SMILES

CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)O

InChI

InChI=1S/C8H11N3O3S/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14/h3-6H,1-2H3,(H,12,13,14)

InChIKey

FLTYACUMGDVPLP-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)phenyl]iminosulfamic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 43
References: 21792
Patents: 229.05211 Da
Monoisotopic Mass: 1.3
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]+	230.059386	145.9
[M+Na]+	252.041328	153.5
[M-H]-	228.044834	152.7
[M+NH4]+	247.085933	164.7
[M+K]+	268.015268	152.7
[M+H-H2O]+	212.049370	138.6
[M+HCOO]-	274.050311	169.8
[M+CH3COO]-	288.065961	197.4
[M+Na-2H]-	250.026776	152.5
[M]+	229.05156142	150.1
[M]-	229.05265858	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe