CID 2828757

Propanoic acid, 2-methyl-3-sulfino-, disodium salt

Structural Information

Molecular Formula
C4H8O4S
SMILES
CC(CS(=O)O)C(=O)O
InChI
InChI=1S/C4H8O4S/c1-3(4(5)6)2-9(7)8/h3H,2H2,1H3,(H,5,6)(H,7,8)
InChIKey
OHQGYUUBUWRDNX-UHFFFAOYSA-N
Compound name
2-methyl-3-sulfinopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.01433 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021606 128.3
[M+Na]+ 175.003548 134.8
[M-H]- 151.007054 126.1
[M+NH4]+ 170.048153 148.0
[M+K]+ 190.977488 134.0
[M+H-H2O]+ 135.011590 123.8
[M+HCOO]- 197.012531 142.3
[M+CH3COO]- 211.028181 168.7
[M+Na-2H]- 172.988996 128.4
[M]+ 152.01378142 129.5
[M]- 152.01487858 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe