CID 43463

60752-95-6

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC(C)C
InChI
InChI=1S/C14H24N2O2/c1-6-14(7-2,8-3)16-9-12(10-16)18-13(17)15-11(4)5/h1,11-12H,7-10H2,2-5H3,(H,15,17)
InChIKey
MUGQRGNJPFIYPJ-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.191056 161.1
[M+Na]+ 275.172998 165.1
[M-H]- 251.176504 161.1
[M+NH4]+ 270.217603 168.9
[M+K]+ 291.146938 168.0
[M+H-H2O]+ 235.181040 143.7
[M+HCOO]- 297.181981 172.3
[M+CH3COO]- 311.197631 208.6
[M+Na-2H]- 273.158446 160.9
[M]+ 252.18323142 164.1
[M]- 252.18432858 164.1
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.