CID 130170929

1-methyl-1h-1,2,3-triazole-4-sulfonamide

Structural Information

Molecular Formula

C₃H₆N₄O₂S

SMILES

CN1C=C(N=N1)S(=O)(=O)N

InChI

InChI=1S/C3H6N4O2S/c1-7-2-3(5-6-7)10(4,8)9/h2H,1H3,(H2,4,8,9)

InChIKey

WHINTPULBAPLQR-UHFFFAOYSA-N

Compound name

1-methyltriazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 162.02115 Da
Monoisotopic Mass: -1.4
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]+	163.028426	130.2
[M+Na]+	185.010368	141.4
[M-H]-	161.013874	130.7
[M+NH4]+	180.054973	149.0
[M+K]+	200.984308	139.5
[M+H-H2O]+	145.018410	123.8
[M+HCOO]-	207.019351	147.9
[M+CH3COO]-	221.035001	173.5
[M+Na-2H]-	182.995816	134.7
[M]+	162.02060142	131.8
[M]-	162.02169858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe