CID 34286

2-methyl-3-furanthiol

Structural Information

Molecular Formula
C5H6OS
SMILES
CC1=C(C=CO1)S
InChI
InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
Compound name
2-methylfuran-3-thiol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

51
References

2283
Patents

114.01394 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.021216 117.1
[M+Na]+ 137.003158 127.7
[M-H]- 113.006664 122.7
[M+NH4]+ 132.047763 141.5
[M+K]+ 152.977098 127.8
[M+H-H2O]+ 97.011200 113.1
[M+HCOO]- 159.012141 138.0
[M+CH3COO]- 173.027791 166.4
[M+Na-2H]- 134.988606 121.9
[M]+ 114.01339142 121.0
[M]- 114.01448858 121.0
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