CID 21567081

2-methyl-2-(methyldisulfanyl)propanoic acid

Structural Information

Molecular Formula
C5H10O2S2
SMILES
CC(C)(C(=O)O)SSC
InChI
InChI=1S/C5H10O2S2/c1-5(2,4(6)7)9-8-3/h1-3H3,(H,6,7)
InChIKey
MFMUWABGDRMORU-UHFFFAOYSA-N
Compound name
2-methyl-2-(methyldisulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.01222 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.019496 132.9
[M+Na]+ 189.001438 139.9
[M-H]- 165.004944 131.8
[M+NH4]+ 184.046043 153.2
[M+K]+ 204.975378 137.3
[M+H-H2O]+ 149.009480 128.4
[M+HCOO]- 211.010421 142.1
[M+CH3COO]- 225.026071 174.6
[M+Na-2H]- 186.986886 133.5
[M]+ 166.01167142 135.5
[M]- 166.01276858 135.5
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