CID 344576

((3-aminopropanoyl)amino)methanesulfonic acid

Structural Information

Molecular Formula
C4H10N2O4S
SMILES
C(CN)C(=O)NCS(=O)(=O)O
InChI
InChI=1S/C4H10N2O4S/c5-2-1-4(7)6-3-11(8,9)10/h1-3,5H2,(H,6,7)(H,8,9,10)
InChIKey
BUAPAMDEVSJIGE-UHFFFAOYSA-N
Compound name
(3-aminopropanoylamino)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03613 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043406 134.8
[M+Na]+ 205.025348 141.0
[M-H]- 181.028854 133.3
[M+NH4]+ 200.069953 153.2
[M+K]+ 220.999288 139.3
[M+H-H2O]+ 165.033390 129.4
[M+HCOO]- 227.034331 152.3
[M+CH3COO]- 241.049981 177.7
[M+Na-2H]- 203.010796 138.3
[M]+ 182.03558142 135.0
[M]- 182.03667858 135.0
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.