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]+ 149.041946 136.1
[M+Na]+ 171.023888 148.5
[M-H]- 147.027394 139.7
[M+NH4]+ 166.068493 158.0
[M+K]+ 186.997828 143.9
[M+H-H2O]+ 131.031930 125.5
[M+HCOO]- 193.032871 151.0
[M+CH3COO]- 207.048521 181.8
[M+Na-2H]- 169.009336 137.1
[M]+ 148.03412142 132.8
[M]- 148.03521858 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.