CID 224019

1-propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-

Structural Information

Molecular Formula
C11H15NOS
SMILES
C1CCN(C1)CCC(=O)C2=CC=CS2
InChI
InChI=1S/C11H15NOS/c13-10(11-4-3-9-14-11)5-8-12-6-1-2-7-12/h3-4,9H,1-2,5-8H2
InChIKey
GXOGJLMJTDDLLD-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-yl-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 149.5
[M+Na]+ 232.07665 156.0
[M-H]- 208.08015 154.8
[M+NH4]+ 227.12125 170.8
[M+K]+ 248.05059 153.9
[M+H-H2O]+ 192.08469 143.0
[M+HCOO]- 254.08563 166.7
[M+CH3COO]- 268.10128 182.5
[M+Na-2H]- 230.06210 147.5
[M]+ 209.08688 149.6
[M]- 209.08798 149.6
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