CID 12943526

(3-methylfuran-2-yl)methanethiol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=C(OC=C1)CS
InChI
InChI=1S/C6H8OS/c1-5-2-3-7-6(5)4-8/h2-3,8H,4H2,1H3
InChIKey
KEFXLWKSKONRCZ-UHFFFAOYSA-N
Compound name
(3-methylfuran-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

128.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 121.8
[M+Na]+ 151.01881 132.0
[M-H]- 127.02231 127.2
[M+NH4]+ 146.06341 145.6
[M+K]+ 166.99275 131.8
[M+H-H2O]+ 111.02685 117.6
[M+HCOO]- 173.02779 142.3
[M+CH3COO]- 187.04344 169.4
[M+Na-2H]- 149.00426 126.0
[M]+ 128.02904 126.0
[M]- 128.03014 126.0
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