CID 203238

14053-10-2

Structural Information

Molecular Formula
C17H24N2O
SMILES
C1CC(=O)N(C1)CC#CCN2CC3C4CCC(C4)C3C2
InChI
InChI=1S/C17H24N2O/c20-17-4-3-9-19(17)8-2-1-7-18-11-15-13-5-6-14(10-13)16(15)12-18/h13-16H,3-12H2
InChIKey
JSIGXBPLLLEIPY-UHFFFAOYSA-N
Compound name
1-[4-(4-azatricyclo[5.2.1.02,6]decan-4-yl)but-2-ynyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 168.3
[M+Na]+ 295.178088 177.2
[M-H]- 271.181594 169.9
[M+NH4]+ 290.222693 188.5
[M+K]+ 311.152028 167.9
[M+H-H2O]+ 255.186130 155.7
[M+HCOO]- 317.187071 178.5
[M+CH3COO]- 331.202721 176.9
[M+Na-2H]- 293.163536 162.1
[M]+ 272.18832142 160.1
[M]- 272.18941858 160.1
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.