CID 22054765

2,3-dihydro-2-methylthiophene

Structural Information

Molecular Formula
C5H8S
SMILES
CC1CC=CS1
InChI
InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3
InChIKey
MFAXBTKOLOJEHX-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydrothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

100.03467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04195 117.1
[M+Na]+ 123.02389 125.7
[M-H]- 99.027394 121.3
[M+NH4]+ 118.06849 142.9
[M+K]+ 138.99783 124.7
[M+H-H2O]+ 83.031930 112.7
[M+HCOO]- 145.03287 137.0
[M+CH3COO]- 159.04852 163.9
[M+Na-2H]- 121.00934 120.4
[M]+ 100.03412 117.2
[M]- 100.03522 117.2
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