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]+ 287.17540 168.3
[M+Na]+ 309.15734 173.2
[M-H]- 285.16084 170.4
[M+NH4]+ 304.20194 174.5
[M+K]+ 325.13128 173.4
[M+H-H2O]+ 269.16538 149.5
[M+HCOO]- 331.16632 180.8
[M+CH3COO]- 345.18197 211.7
[M+Na-2H]- 307.14279 169.9
[M]+ 286.16757 170.5
[M]- 286.16867 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.