CID 14010265

[(2-aminoethyl)sulfamoyl]dimethylamine hydrochloride

Structural Information

Molecular Formula
C4H13N3O2S
SMILES
CN(C)S(=O)(=O)NCCN
InChI
InChI=1S/C4H13N3O2S/c1-7(2)10(8,9)6-4-3-5/h6H,3-5H2,1-2H3
InChIKey
VXDUVINZNILVIC-UHFFFAOYSA-N
Compound name
1-amino-2-(dimethylsulfamoylamino)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

167.07285 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08013 132.8
[M+Na]+ 190.06207 138.9
[M-H]- 166.06557 134.1
[M+NH4]+ 185.10667 153.0
[M+K]+ 206.03601 138.6
[M+H-H2O]+ 150.07011 126.7
[M+HCOO]- 212.07105 153.5
[M+CH3COO]- 226.08670 185.1
[M+Na-2H]- 188.04752 137.2
[M]+ 167.07230 133.8
[M]- 167.07340 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe