CID 10214435

(z)-methyl 3-(methylsulfinyl)-1-propenyl disulfide

Structural Information

Molecular Formula
C5H10OS3
SMILES
CSS/C=C/CS(=O)C
InChI
InChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+
InChIKey
CXAHNLQTKCEOAB-ONEGZZNKSA-N
Compound name
(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

181.98938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99666 133.5
[M+Na]+ 204.97860 140.7
[M-H]- 180.98210 133.0
[M+NH4]+ 200.02320 153.3
[M+K]+ 220.95254 135.5
[M+H-H2O]+ 164.98664 128.1
[M+HCOO]- 226.98758 139.1
[M+CH3COO]- 241.00323 179.7
[M+Na-2H]- 202.96405 132.1
[M]+ 181.98883 135.3
[M]- 181.98993 135.3
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