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]+ 273.19615 168.3
[M+Na]+ 295.17809 177.2
[M-H]- 271.18159 169.9
[M+NH4]+ 290.22269 188.5
[M+K]+ 311.15203 167.9
[M+H-H2O]+ 255.18613 155.7
[M+HCOO]- 317.18707 178.5
[M+CH3COO]- 331.20272 176.9
[M+Na-2H]- 293.16354 162.1
[M]+ 272.18832 160.1
[M]- 272.18942 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.