CID 3050386

2(3h)-thiophenone, 5-propyl-

Structural Information

Molecular Formula
C7H10OS
SMILES
CCCC1=CCC(=O)S1
InChI
InChI=1S/C7H10OS/c1-2-3-6-4-5-7(8)9-6/h4H,2-3,5H2,1H3
InChIKey
UQIZQPHTUWEMOL-UHFFFAOYSA-N
Compound name
5-propyl-3H-thiophen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.04524 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 128.1
[M+Na]+ 165.03446 136.9
[M-H]- 141.03796 132.3
[M+NH4]+ 160.07906 152.4
[M+K]+ 181.00840 135.2
[M+H-H2O]+ 125.04250 123.5
[M+HCOO]- 187.04344 147.7
[M+CH3COO]- 201.05909 172.0
[M+Na-2H]- 163.01991 129.9
[M]+ 142.04469 130.1
[M]- 142.04579 130.1
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.