CID 80328

Cyclopropyl 2-thienyl ketone

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CC1C(=O)C2=CC=CS2
InChI
InChI=1S/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
InChIKey
PJDFNFSTSCAKPC-UHFFFAOYSA-N
Compound name
cyclopropyl(thiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

118
Patents

152.02959 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 134.3
[M+Na]+ 175.01881 146.7
[M+NH4]+ 170.06341 144.6
[M+K]+ 190.99275 141.7
[M-H]- 151.02231 144.1
[M+Na-2H]- 173.00426 142.9
[M]+ 152.02904 140.3
[M]- 152.03014 140.3
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.