CID 43440

60752-67-2

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCCNC(=O)OC1CN(C1)C(CC)(CC)C#C
InChI
InChI=1S/C14H24N2O2/c1-5-9-15-13(17)18-12-10-16(11-12)14(6-2,7-3)8-4/h2,12H,5,7-11H2,1,3-4H3,(H,15,17)
InChIKey
AONDHZWPJYOYJZ-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 159.0
[M+Na]+ 275.17300 163.4
[M-H]- 251.17650 159.0
[M+NH4]+ 270.21760 167.0
[M+K]+ 291.14694 165.8
[M+H-H2O]+ 235.18104 141.6
[M+HCOO]- 297.18198 171.2
[M+CH3COO]- 311.19763 207.8
[M+Na-2H]- 273.15845 160.1
[M]+ 252.18323 162.7
[M]- 252.18433 162.7
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.