CID 114809307

(3-hydroxypropyl)(methylsulfamoyl)amine

Structural Information

Molecular Formula
C4H12N2O3S
SMILES
CNS(=O)(=O)NCCCO
InChI
InChI=1S/C4H12N2O3S/c1-5-10(8,9)6-3-2-4-7/h5-7H,2-4H2,1H3
InChIKey
BBEVYZYDCIAODA-UHFFFAOYSA-N
Compound name
3-(methylsulfamoylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.05687 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06415 134.3
[M+Na]+ 191.04609 140.6
[M+NH4]+ 186.09069 140.2
[M+K]+ 207.02003 135.9
[M-H]- 167.04959 132.2
[M+Na-2H]- 189.03154 135.9
[M]+ 168.05632 134.5
[M]- 168.05742 134.5
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.