CID 10176765

U-80816

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1=CC=CN1CC#CCN2CCCC2=O
InChI
InChI=1S/C13H16N2O/c1-12-6-4-10-14(12)8-2-3-9-15-11-5-7-13(15)16/h4,6,10H,5,7-9,11H2,1H3
InChIKey
RBCXUJODVKKGBN-UHFFFAOYSA-N
Compound name
1-[4-(2-methylpyrrol-1-yl)but-2-ynyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 150.8
[M+Na]+ 239.11549 161.2
[M+NH4]+ 234.16009 154.8
[M+K]+ 255.08943 154.8
[M-H]- 215.11899 144.1
[M+Na-2H]- 237.10094 152.5
[M]+ 216.12572 149.3
[M]- 216.12682 149.3
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.