CID 56843529

3-(3-(3-ethyl-1-methylpiperidinyl))phenol, hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CN1CCCC(C1)CCC2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-15-9-3-5-13(11-15)8-7-12-4-2-6-14(16)10-12/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKey
DKLKTMBMDKPBQO-UHFFFAOYSA-N
Compound name
3-[2-(1-methylpiperidin-3-yl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.5
[M+Na]+ 242.15153 157.4
[M-H]- 218.15503 155.6
[M+NH4]+ 237.19613 168.8
[M+K]+ 258.12547 153.7
[M+H-H2O]+ 202.15957 144.7
[M+HCOO]- 264.16051 169.9
[M+CH3COO]- 278.17616 187.3
[M+Na-2H]- 240.13698 155.6
[M]+ 219.16176 148.1
[M]- 219.16286 148.1
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.