CID 12412513

1225190-03-3

Structural Information

Molecular Formula
C3H11N3O2S
SMILES
C(CN)CNS(=O)(=O)N
InChI
InChI=1S/C3H11N3O2S/c4-2-1-3-6-9(5,7)8/h6H,1-4H2,(H2,5,7,8)
InChIKey
JYXALWFVSLSLIR-UHFFFAOYSA-N
Compound name
1-amino-3-(sulfamoylamino)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 127.2
[M+NH4]+ 171.091023 147.6
[M+K]+ 192.020358 132.3
[M+H-H2O]+ 136.054460 122.0
[M+HCOO]- 198.055401 147.7
[M+CH3COO]- 212.071051 178.1
[M+Na-2H]- 174.031866 132.3
[M]+ 153.05665142 126.1
[M]- 153.05774858 126.1
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