CID 43450

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

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NCC=C
InChI
InChI=1S/C14H22N2O2/c1-5-9-15-13(17)18-12-10-16(11-12)14(6-2,7-3)8-4/h2,5,12H,1,7-11H2,3-4H3,(H,15,17)
InChIKey
DFOGBFKUSNEXKM-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 164.1
[M+Na]+ 273.15734 167.9
[M+NH4]+ 268.20194 162.7
[M+K]+ 289.13128 161.9
[M-H]- 249.16084 153.1
[M+Na-2H]- 271.14279 160.9
[M]+ 250.16757 159.4
[M]- 250.16867 159.4
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.