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]+ 293.22238 176.6
[M+Na]+ 315.20432 179.9
[M+NH4]+ 310.24892 175.8
[M+K]+ 331.17826 173.4
[M-H]- 291.20782 167.5
[M+Na-2H]- 313.18977 174.0
[M]+ 292.21455 172.3
[M]- 292.21565 172.3
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.