CID 12249157

1-(4-ethynylphenyl)piperidine

Structural Information

Molecular Formula
C13H15N
SMILES
C#CC1=CC=C(C=C1)N2CCCCC2
InChI
InChI=1S/C13H15N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h1,6-9H,3-5,10-11H2
InChIKey
HSVTWKBBVMEXGW-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

185.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 146.1
[M+Na]+ 208.10967 159.4
[M+NH4]+ 203.15427 152.0
[M+K]+ 224.08361 148.2
[M-H]- 184.11317 142.3
[M+Na-2H]- 206.09512 151.2
[M]+ 185.11990 146.2
[M]- 185.12100 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe