CID 20158044

3-(methylthio)methylthiophene

Structural Information

Molecular Formula
C6H8S2
SMILES
CSCC1=CSC=C1
InChI
InChI=1S/C6H8S2/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3
InChIKey
YWUFGNXATBTVEB-UHFFFAOYSA-N
Compound name
3-(methylsulfanylmethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

68
Patents

144.00674 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01402 125.6
[M+Na]+ 166.99596 135.3
[M-H]- 142.99946 129.9
[M+NH4]+ 162.04056 149.9
[M+K]+ 182.96990 132.4
[M+H-H2O]+ 127.00400 121.0
[M+HCOO]- 189.00494 140.9
[M+CH3COO]- 203.02059 171.8
[M+Na-2H]- 164.98141 126.8
[M]+ 144.00619 128.5
[M]- 144.00729 128.5
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