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]+ 239.175396 155.0
[M+Na]+ 261.157338 159.8
[M-H]- 237.160844 155.2
[M+NH4]+ 256.201943 163.5
[M+K]+ 277.131278 162.4
[M+H-H2O]+ 221.165380 137.8
[M+HCOO]- 283.166321 167.5
[M+CH3COO]- 297.181971 205.2
[M+Na-2H]- 259.142786 156.6
[M]+ 238.16757142 158.4
[M]- 238.16866858 158.4
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.