CID 11579137

2-(methyldisulfanyl)acetic acid

Structural Information

Molecular Formula
C3H6O2S2
SMILES
CSSCC(=O)O
InChI
InChI=1S/C3H6O2S2/c1-6-7-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
RAMAFUFQWPVITF-UHFFFAOYSA-N
Compound name
2-(methyldisulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

137.98093 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.98821 125.5
[M+Na]+ 160.97015 134.3
[M+NH4]+ 156.01475 133.9
[M+K]+ 176.94409 126.4
[M-H]- 136.97365 124.7
[M+Na-2H]- 158.95560 127.2
[M]+ 137.98038 127.2
[M]- 137.98148 127.2
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