CID 200711

1-(3-phenylprop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C14H17N
SMILES
C1CCN(CC1)CC#CC2=CC=CC=C2
InChI
InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
InChIKey
PJMAQEATSLLDCR-UHFFFAOYSA-N
Compound name
1-(3-phenylprop-2-ynyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

199.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 146.4
[M+Na]+ 222.12532 153.6
[M-H]- 198.12882 148.2
[M+NH4]+ 217.16992 161.7
[M+K]+ 238.09926 147.0
[M+H-H2O]+ 182.13336 132.5
[M+HCOO]- 244.13430 159.9
[M+CH3COO]- 258.14995 155.9
[M+Na-2H]- 220.11077 150.6
[M]+ 199.13555 135.9
[M]- 199.13665 135.9
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