CID 87090644

Schembl316329

Structural Information

Molecular Formula

C₂H₈N₂O₃S

SMILES

CN(C)NS(=O)(=O)O

InChI

InChI=1S/C2H8N2O3S/c1-4(2)3-8(5,6)7/h3H,1-2H3,(H,5,6,7)

InChIKey

TVLGKDACTZJSIZ-UHFFFAOYSA-N

Compound name

dimethylaminosulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 140.02556 Da
Monoisotopic Mass: -3.2
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]+	141.032836	123.6
[M+Na]+	163.014778	130.9
[M-H]-	139.018284	124.5
[M+NH4]+	158.059383	144.8
[M+K]+	178.988718	131.1
[M+H-H2O]+	123.022820	118.5
[M+HCOO]-	185.023761	143.4
[M+CH3COO]-	199.039411	174.1
[M+Na-2H]-	161.000226	129.3
[M]+	140.02501142	125.3
[M]-	140.02610858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe