CID 203693

1-piperidinepropanol, 4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCO
InChI
InChI=1S/C14H21NO/c16-12-4-9-15-10-7-14(8-11-15)13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKey
CPEMAAAOWZZLBP-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.5
[M+Na]+ 242.15153 156.5
[M-H]- 218.15503 155.1
[M+NH4]+ 237.19613 168.5
[M+K]+ 258.12547 152.7
[M+H-H2O]+ 202.15957 144.5
[M+HCOO]- 264.16051 170.0
[M+CH3COO]- 278.17616 186.2
[M+Na-2H]- 240.13698 156.4
[M]+ 219.16176 147.7
[M]- 219.16286 147.7
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