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]+ 167.01950 132.9
[M+Na]+ 189.00144 139.9
[M-H]- 165.00494 131.8
[M+NH4]+ 184.04604 153.2
[M+K]+ 204.97538 137.3
[M+H-H2O]+ 149.00948 128.4
[M+HCOO]- 211.01042 142.1
[M+CH3COO]- 225.02607 174.6
[M+Na-2H]- 186.98689 133.5
[M]+ 166.01167 135.5
[M]- 166.01277 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