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

121
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 125.4
[M+Na]+ 175.01881 135.3
[M-H]- 151.02231 133.5
[M+NH4]+ 170.06341 143.9
[M+K]+ 190.99275 132.8
[M+H-H2O]+ 135.02685 119.7
[M+HCOO]- 197.02779 145.7
[M+CH3COO]- 211.04344 176.5
[M+Na-2H]- 173.00426 128.2
[M]+ 152.02904 129.2
[M]- 152.03014 129.2
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