CID 474194

Methyl 2,3-disulfanylpropanoate

Structural Information

Molecular Formula
C4H8O2S2
SMILES
COC(=O)C(CS)S
InChI
InChI=1S/C4H8O2S2/c1-6-4(5)3(8)2-7/h3,7-8H,2H2,1H3
InChIKey
FWJUETWQSJHERL-UHFFFAOYSA-N
Compound name
methyl 2,3-bis(sulfanyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.99657 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00385 127.4
[M+Na]+ 174.98579 134.7
[M-H]- 150.98929 127.9
[M+NH4]+ 170.03039 148.9
[M+K]+ 190.95973 133.5
[M+H-H2O]+ 134.99383 122.5
[M+HCOO]- 196.99477 138.7
[M+CH3COO]- 211.01042 174.2
[M+Na-2H]- 172.97124 127.2
[M]+ 151.99602 131.4
[M]- 151.99712 131.4
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