CID 75664

2-methylthiophene-3-thiol

Structural Information

Molecular Formula
C5H6S2
SMILES
CC1=C(C=CS1)S
InChI
InChI=1S/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
InChIKey
AQXLMAYNBMTBHD-UHFFFAOYSA-N
Compound name
2-methylthiophene-3-thiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

101
Patents

129.99109 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99837 120.5
[M+Na]+ 152.98031 131.4
[M-H]- 128.98381 125.3
[M+NH4]+ 148.02491 145.6
[M+K]+ 168.95425 128.7
[M+H-H2O]+ 112.98835 116.3
[M+HCOO]- 174.98929 136.0
[M+CH3COO]- 189.00494 169.8
[M+Na-2H]- 150.96576 121.6
[M]+ 129.99054 123.4
[M]- 129.99164 123.4
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