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]+ 154.06448 127.8
[M+Na]+ 176.04642 134.2
[M-H]- 152.04992 127.7
[M+NH4]+ 171.09102 147.9
[M+K]+ 192.02036 132.7
[M+H-H2O]+ 136.05446 122.0
[M+HCOO]- 198.05540 148.3
[M+CH3COO]- 212.07105 178.7
[M+Na-2H]- 174.03187 133.4
[M]+ 153.05665 127.2
[M]- 153.05775 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.