CID 79248

2-butanoylthiophene

Structural Information

Molecular Formula
C8H10OS
SMILES
CCCC(=O)C1=CC=CS1
InChI
InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
InChIKey
YXHIINNJOGKPLF-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

228
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 132.3
[M+Na]+ 177.034458 140.6
[M-H]- 153.037964 136.4
[M+NH4]+ 172.079063 155.8
[M+K]+ 193.008398 138.8
[M+H-H2O]+ 137.042500 127.3
[M+HCOO]- 199.043441 152.1
[M+CH3COO]- 213.059091 174.4
[M+Na-2H]- 175.019906 134.0
[M]+ 154.04469142 135.0
[M]- 154.04578858 135.0
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