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]+ 267.206706 162.9
[M+Na]+ 289.188648 166.9
[M-H]- 265.192154 162.8
[M+NH4]+ 284.233253 170.4
[M+K]+ 305.162588 169.1
[M+H-H2O]+ 249.196690 145.4
[M+HCOO]- 311.197631 174.8
[M+CH3COO]- 325.213281 210.4
[M+Na-2H]- 287.174096 163.6
[M]+ 266.19888142 167.0
[M]- 266.19997858 167.0
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.