CID 214602

33524-04-8

Structural Information

Molecular Formula
C11H16N2OS
SMILES
C1CCN(C1)CCCC(=O)C2=NC=CS2
InChI
InChI=1S/C11H16N2OS/c14-10(11-12-5-9-15-11)4-3-8-13-6-1-2-7-13/h5,9H,1-4,6-8H2
InChIKey
IVLKFVFNLHGABX-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09833 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.105606 152.4
[M+Na]+ 247.087548 159.0
[M-H]- 223.091054 156.4
[M+NH4]+ 242.132153 171.9
[M+K]+ 263.061488 156.9
[M+H-H2O]+ 207.095590 145.0
[M+HCOO]- 269.096531 168.5
[M+CH3COO]- 283.112181 185.2
[M+Na-2H]- 245.072996 150.3
[M]+ 224.09778142 153.0
[M]- 224.09887858 153.0
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.