CID 11971087

Butanoic acid, 3-sulfino-, disodium salt

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.01433 Da
Monoisotopic Mass

-0.7
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

No literature data available for this compound.

Patent stripe

patents stripe