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]+ 253.191056 159.0
[M+Na]+ 275.172998 163.4
[M-H]- 251.176504 159.0
[M+NH4]+ 270.217603 167.0
[M+K]+ 291.146938 165.8
[M+H-H2O]+ 235.181040 141.6
[M+HCOO]- 297.181981 171.2
[M+CH3COO]- 311.197631 207.8
[M+Na-2H]- 273.158446 160.1
[M]+ 252.18323142 162.7
[M]- 252.18432858 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.