CID 142508

40990-29-2

Structural Information

Molecular Formula
C6H8S2
SMILES
CC1=CC=C(S1)SC
InChI
InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
InChIKey
VSUGUKXAAPOFPQ-UHFFFAOYSA-N
Compound name
2-methyl-5-methylsulfanylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

144.00674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01402 127.2
[M+Na]+ 166.99596 138.7
[M+NH4]+ 162.04056 138.0
[M+K]+ 182.96990 129.9
[M-H]- 142.99946 130.3
[M+Na-2H]- 164.98141 132.1
[M]+ 144.00619 130.7
[M]- 144.00729 130.7
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