CID 58219331

Me-s(o)s-npropyl

Structural Information

Molecular Formula
C4H10OS2
SMILES
CCCSS(=O)C
InChI
InChI=1S/C4H10OS2/c1-3-4-6-7(2)5/h3-4H2,1-2H3
InChIKey
YLTAOPHRXMSIFM-UHFFFAOYSA-N
Compound name
1-methylsulfinylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

138.0173 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.024576 123.7
[M+Na]+ 161.006518 131.5
[M-H]- 137.010024 124.2
[M+NH4]+ 156.051123 145.9
[M+K]+ 176.980458 129.4
[M+H-H2O]+ 121.014560 118.9
[M+HCOO]- 183.015501 135.8
[M+CH3COO]- 197.031151 172.3
[M+Na-2H]- 158.991966 124.3
[M]+ 138.01675142 126.9
[M]- 138.01784858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe