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]+ 183.04341 134.8
[M+Na]+ 205.02535 141.0
[M-H]- 181.02885 133.3
[M+NH4]+ 200.06995 153.2
[M+K]+ 220.99929 139.3
[M+H-H2O]+ 165.03339 129.4
[M+HCOO]- 227.03433 152.3
[M+CH3COO]- 241.04998 177.7
[M+Na-2H]- 203.01080 138.3
[M]+ 182.03558 135.0
[M]- 182.03668 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.