CID 104041559

(2-aminoethyl)(methylsulfamoyl)amine

Structural Information

Molecular Formula
C3H11N3O2S
SMILES
CNS(=O)(=O)NCCN
InChI
InChI=1S/C3H11N3O2S/c1-5-9(7,8)6-3-2-4/h5-6H,2-4H2,1H3
InChIKey
XDZWKVZVZXMWIU-UHFFFAOYSA-N
Compound name
N'-(methylsulfamoyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.0572 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.064476 127.8
[M+Na]+ 176.046418 134.2
[M-H]- 152.049924 127.7
[M+NH4]+ 171.091023 147.9
[M+K]+ 192.020358 132.7
[M+H-H2O]+ 136.054460 122.0
[M+HCOO]- 198.055401 148.3
[M+CH3COO]- 212.071051 178.7
[M+Na-2H]- 174.031866 133.4
[M]+ 153.05665142 127.2
[M]- 153.05774858 127.2
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

No patent data available for this compound.