CID 134812250

Mebbt

Structural Information

Molecular Formula
C9H8S
SMILES
CC1=CC=C(S1)C#CC=C
InChI
InChI=1S/C9H8S/c1-3-4-5-9-7-6-8(2)10-9/h3,6-7H,1H2,2H3
InChIKey
CRIWLPYXZBTORH-UHFFFAOYSA-N
Compound name
2-but-3-en-1-ynyl-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04195 136.1
[M+Na]+ 171.02389 148.5
[M-H]- 147.02739 139.7
[M+NH4]+ 166.06849 158.0
[M+K]+ 186.99783 143.9
[M+H-H2O]+ 131.03193 125.5
[M+HCOO]- 193.03287 151.0
[M+CH3COO]- 207.04852 181.8
[M+Na-2H]- 169.00934 137.1
[M]+ 148.03412 132.8
[M]- 148.03522 132.8
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

No patent data available for this compound.