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 148.9
[M+Na]+ 239.11549 158.6
[M-H]- 215.11899 150.3
[M+NH4]+ 234.16009 165.9
[M+K]+ 255.08943 153.2
[M+H-H2O]+ 199.12353 134.5
[M+HCOO]- 261.12447 164.3
[M+CH3COO]- 275.14012 193.5
[M+Na-2H]- 237.10094 148.3
[M]+ 216.12572 142.6
[M]- 216.12682 142.6
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.