CID 43454

60752-84-3

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C15H26N2O2/c1-7-15(8-2,9-3)17-10-12(11-17)19-13(18)16-14(4,5)6/h1,12H,8-11H2,2-6H3,(H,16,18)
InChIKey
BWIXHNRWBXWNKS-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 166.7
[M+Na]+ 289.188648 170.9
[M-H]- 265.192154 166.9
[M+NH4]+ 284.233253 174.3
[M+K]+ 305.162588 173.7
[M+H-H2O]+ 249.196690 149.8
[M+HCOO]- 311.197631 177.1
[M+CH3COO]- 325.213281 210.3
[M+Na-2H]- 287.174096 167.7
[M]+ 266.19888142 170.1
[M]- 266.19997858 170.1
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.