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

16
Patents

128.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 121.8
[M+Na]+ 151.018808 132.0
[M-H]- 127.022314 127.2
[M+NH4]+ 146.063413 145.6
[M+K]+ 166.992748 131.8
[M+H-H2O]+ 111.026850 117.6
[M+HCOO]- 173.027791 142.3
[M+CH3COO]- 187.043441 169.4
[M+Na-2H]- 149.004256 126.0
[M]+ 128.02904142 126.0
[M]- 128.03013858 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