CID 43459

Propylcarbamic acid 1-(1-ethynylcyclohexyl)-3-azetidinyl ester hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCCNC(=O)OC1CN(C1)C2(CCCCC2)C#C
InChI
InChI=1S/C15H24N2O2/c1-3-10-16-14(18)19-13-11-17(12-13)15(4-2)8-6-5-7-9-15/h2,13H,3,5-12H2,1H3,(H,16,18)
InChIKey
PBSZTYBNFBZMFT-UHFFFAOYSA-N
Compound name
[1-(1-ethynylcyclohexyl)azetidin-3-yl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 167.4
[M+Na]+ 287.17300 171.6
[M+NH4]+ 282.21760 168.3
[M+K]+ 303.14694 163.0
[M-H]- 263.17650 159.0
[M+Na-2H]- 285.15845 166.7
[M]+ 264.18323 163.6
[M]- 264.18433 163.6
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.