CID 43465

60752-96-7

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC2CCCCC2
InChI
InChI=1S/C17H28N2O2/c1-4-17(5-2,6-3)19-12-15(13-19)21-16(20)18-14-10-8-7-9-11-14/h1,14-15H,5-13H2,2-3H3,(H,18,20)
InChIKey
YKCIPFLPSYBTPP-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 167.6
[M+Na]+ 315.204318 170.0
[M-H]- 291.207824 169.1
[M+NH4]+ 310.248923 173.6
[M+K]+ 331.178258 170.6
[M+H-H2O]+ 275.212360 149.3
[M+HCOO]- 337.213301 176.5
[M+CH3COO]- 351.228951 212.8
[M+Na-2H]- 313.189766 167.2
[M]+ 292.21455142 166.4
[M]- 292.21564858 166.4
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.