CID 36558

33592-97-1

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCN1CCCC(C1)OC(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H19N3O2/c1-2-18-9-3-4-14(11-18)20-15(19)17-13-7-5-12(10-16)6-8-13/h5-8,14H,2-4,9,11H2,1H3,(H,17,19)
InChIKey
IGPQBGUKWXQYCV-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.8
[M+Na]+ 296.13696 170.3
[M-H]- 272.14046 166.9
[M+NH4]+ 291.18156 176.4
[M+K]+ 312.11090 166.0
[M+H-H2O]+ 256.14500 148.8
[M+HCOO]- 318.14594 179.5
[M+CH3COO]- 332.16159 210.2
[M+Na-2H]- 294.12241 165.9
[M]+ 273.14719 155.8
[M]- 273.14829 155.8
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.