CID 43446

60752-80-9

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CCCCNC(=O)OC1CN(C1)C(CC)(CC)C#C
InChI
InChI=1S/C15H26N2O2/c1-5-9-10-16-14(18)19-13-11-17(12-13)15(6-2,7-3)8-4/h2,13H,5,7-12H2,1,3-4H3,(H,16,18)
InChIKey
ZDMFYVPSKXGXQZ-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 168.0
[M+Na]+ 289.18865 171.5
[M+NH4]+ 284.23325 166.6
[M+K]+ 305.16259 165.5
[M-H]- 265.19215 157.1
[M+Na-2H]- 287.17410 164.7
[M]+ 266.19888 163.3
[M]- 266.19998 163.3
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.