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

2
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 127.2
[M+NH4]+ 171.09102 147.6
[M+K]+ 192.02036 132.3
[M+H-H2O]+ 136.05446 122.0
[M+HCOO]- 198.05540 147.7
[M+CH3COO]- 212.07105 178.1
[M+Na-2H]- 174.03187 132.3
[M]+ 153.05665 126.1
[M]- 153.05775 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