CID 43463

(1-methylethyl)carbamic acid 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester hydrochloride

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]+ 253.19106 161.1
[M+Na]+ 275.17300 165.1
[M-H]- 251.17650 161.1
[M+NH4]+ 270.21760 168.9
[M+K]+ 291.14694 168.0
[M+H-H2O]+ 235.18104 143.7
[M+HCOO]- 297.18198 172.3
[M+CH3COO]- 311.19763 208.6
[M+Na-2H]- 273.15845 160.9
[M]+ 252.18323 164.1
[M]- 252.18433 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.