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 162.9
[M+Na]+ 289.18865 166.9
[M-H]- 265.19215 162.8
[M+NH4]+ 284.23325 170.4
[M+K]+ 305.16259 169.1
[M+H-H2O]+ 249.19669 145.4
[M+HCOO]- 311.19763 174.8
[M+CH3COO]- 325.21328 210.4
[M+Na-2H]- 287.17410 163.6
[M]+ 266.19888 167.0
[M]- 266.19998 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.