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 159.1
[M+Na]+ 273.15734 163.7
[M-H]- 249.16084 159.1
[M+NH4]+ 268.20194 167.0
[M+K]+ 289.13128 165.5
[M+H-H2O]+ 233.16538 141.7
[M+HCOO]- 295.16632 171.4
[M+CH3COO]- 309.18197 207.1
[M+Na-2H]- 271.14279 160.1
[M]+ 250.16757 162.1
[M]- 250.16867 162.1
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.