CID 121729

30616-73-0

Structural Information

Molecular Formula
C7H8S
SMILES
CC(=C)C1=CC=CS1
InChI
InChI=1S/C7H8S/c1-6(2)7-4-3-5-8-7/h3-5H,1H2,2H3
InChIKey
FTMGWGRYZSQTMF-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-ylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
Patents

124.03467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.041946 123.9
[M+Na]+ 147.023888 132.7
[M-H]- 123.027394 128.3
[M+NH4]+ 142.068493 148.7
[M+K]+ 162.997828 130.8
[M+H-H2O]+ 107.031930 119.3
[M+HCOO]- 169.032871 143.7
[M+CH3COO]- 183.048521 169.5
[M+Na-2H]- 145.009336 126.1
[M]+ 124.03412142 124.9
[M]- 124.03521858 124.9
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