CID 208065

31634-17-0

Structural Information

Molecular Formula
C12H17NOS
SMILES
C1CCN(C1)CCCC(=O)C2=CSC=C2
InChI
InChI=1S/C12H17NOS/c14-12(11-5-9-15-10-11)4-3-8-13-6-1-2-7-13/h5,9-10H,1-4,6-8H2
InChIKey
VMIFGFHFUXYMEC-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10309 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11037 152.9
[M+Na]+ 246.09231 161.8
[M+NH4]+ 241.13691 161.6
[M+K]+ 262.06625 156.8
[M-H]- 222.09581 155.2
[M+Na-2H]- 244.07776 157.2
[M]+ 223.10254 155.0
[M]- 223.10364 155.0
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.