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]+ 267.20671 166.7
[M+Na]+ 289.18865 170.9
[M-H]- 265.19215 166.9
[M+NH4]+ 284.23325 174.3
[M+K]+ 305.16259 173.7
[M+H-H2O]+ 249.19669 149.8
[M+HCOO]- 311.19763 177.1
[M+CH3COO]- 325.21328 210.3
[M+Na-2H]- 287.17410 167.7
[M]+ 266.19888 170.1
[M]- 266.19998 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.