CID 6428935

13679-60-2

Structural Information

Molecular Formula
C7H10OS
SMILES
CC1=CC=C(O1)CSC
InChI
InChI=1S/C7H10OS/c1-6-3-4-7(8-6)5-9-2/h3-4H,5H2,1-2H3
InChIKey
WFHOSUSADRVYLU-UHFFFAOYSA-N
Compound name
2-methyl-5-(methylsulfanylmethyl)furan
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

27
Patents

142.04524 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.052516 126.4
[M+Na]+ 165.034458 136.2
[M-H]- 141.037964 131.6
[M+NH4]+ 160.079063 149.7
[M+K]+ 181.008398 135.7
[M+H-H2O]+ 125.042500 122.0
[M+HCOO]- 187.043441 146.6
[M+CH3COO]- 201.059091 172.4
[M+Na-2H]- 163.019906 130.1
[M]+ 142.04469142 131.0
[M]- 142.04578858 131.0
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