CID 526177

26486-13-5

Structural Information

Molecular Formula
C5H8OS
SMILES
CC1=C(CCO1)S
InChI
InChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3
InChIKey
IHRSRTFITLMUQC-UHFFFAOYSA-N
Compound name
5-methyl-2,3-dihydrofuran-4-thiol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

146
Patents

116.02959 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.03687 119.1
[M+Na]+ 139.01881 128.6
[M-H]- 115.02231 124.2
[M+NH4]+ 134.06341 143.3
[M+K]+ 154.99275 128.9
[M+H-H2O]+ 99.026850 115.1
[M+HCOO]- 161.02779 138.4
[M+CH3COO]- 175.04344 166.7
[M+Na-2H]- 137.00426 122.9
[M]+ 116.02904 121.5
[M]- 116.03014 121.5
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