CID 43461

60752-94-5

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O2/c1-4-17(5-2,6-3)19-12-15(13-19)21-16(20)18-14-10-8-7-9-11-14/h1,7-11,15H,5-6,12-13H2,2-3H3,(H,18,20)
InChIKey
BVQJVSXISDMXEQ-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 168.3
[M+Na]+ 309.157338 173.2
[M-H]- 285.160844 170.4
[M+NH4]+ 304.201943 174.5
[M+K]+ 325.131278 173.4
[M+H-H2O]+ 269.165380 149.5
[M+HCOO]- 331.166321 180.8
[M+CH3COO]- 345.181971 211.7
[M+Na-2H]- 307.142786 169.9
[M]+ 286.16757142 170.5
[M]- 286.16866858 170.5
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.