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

166
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 123.1
[M+Na]+ 160.97015 130.7
[M-H]- 136.97365 122.2
[M+NH4]+ 156.01475 144.4
[M+K]+ 176.94409 128.2
[M+H-H2O]+ 120.97819 118.5
[M+HCOO]- 182.97913 134.3
[M+CH3COO]- 196.99478 168.4
[M+Na-2H]- 158.95560 123.9
[M]+ 137.98038 125.5
[M]- 137.98148 125.5
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