CID 199084

3680-05-5

Structural Information

Molecular Formula
C5H10O3S
SMILES
CC(C)(C(=O)O)S(=O)C
InChI
InChI=1S/C5H10O3S/c1-5(2,4(6)7)9(3)8/h1-3H3,(H,6,7)
InChIKey
HHHMVNNQYMVCJA-UHFFFAOYSA-N
Compound name
2-methyl-2-methylsulfinylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

150.03506 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.042336 128.7
[M+Na]+ 173.024278 136.0
[M-H]- 149.027784 128.1
[M+NH4]+ 168.068883 149.6
[M+K]+ 188.998218 135.5
[M+H-H2O]+ 133.032320 124.7
[M+HCOO]- 195.033261 143.3
[M+CH3COO]- 209.048911 171.5
[M+Na-2H]- 171.009726 130.7
[M]+ 150.03451142 130.9
[M]- 150.03560858 130.9
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