CID 43455

60752-89-8

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)NC(=O)OC1CN(C1)C2(CCCCC2)C#C
InChI
InChI=1S/C15H24N2O2/c1-4-15(8-6-5-7-9-15)17-10-13(11-17)19-14(18)16-12(2)3/h1,12-13H,5-11H2,2-3H3,(H,16,18)
InChIKey
MAEKNIWVDDMXJK-UHFFFAOYSA-N
Compound name
[1-(1-ethynylcyclohexyl)azetidin-3-yl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 160.8
[M+Na]+ 287.17300 164.5
[M-H]- 263.17650 162.8
[M+NH4]+ 282.21760 169.5
[M+K]+ 303.14694 164.9
[M+H-H2O]+ 247.18104 143.4
[M+HCOO]- 309.18198 170.8
[M+CH3COO]- 323.19763 207.6
[M+Na-2H]- 285.15845 160.5
[M]+ 264.18323 159.1
[M]- 264.18433 159.1
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.