CID 59805215

4-(4-ethynylphenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C13H15N
SMILES
C#CC1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C13H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-6,13-14H,7-10H2
InChIKey
SSTFHDWSGFRESA-UHFFFAOYSA-N
Compound name
4-(4-ethynylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

185.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 143.2
[M+Na]+ 208.10967 151.1
[M-H]- 184.11317 144.3
[M+NH4]+ 203.15427 158.5
[M+K]+ 224.08361 144.1
[M+H-H2O]+ 168.11771 130.0
[M+HCOO]- 230.11865 155.6
[M+CH3COO]- 244.13430 152.8
[M+Na-2H]- 206.09512 146.8
[M]+ 185.11990 131.3
[M]- 185.12100 131.3
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

patents stripe