CID 43452

60752-83-2

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NCC
InChI
InChI=1S/C13H22N2O2/c1-5-13(6-2,7-3)15-9-11(10-15)17-12(16)14-8-4/h1,11H,6-10H2,2-4H3,(H,14,16)
InChIKey
HUYRJNWFMMYRKF-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 160.1
[M+Na]+ 261.15734 164.0
[M+NH4]+ 256.20194 159.0
[M+K]+ 277.13128 158.4
[M-H]- 237.16084 149.3
[M+Na-2H]- 259.14279 157.3
[M]+ 238.16757 155.5
[M]- 238.16867 155.5
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.