CID 55445

3-(1-propylpiperidin-3-yl)phenol

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCN1CCCC(C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
InChIKey
HTSNFXAICLXZMA-UHFFFAOYSA-N
Compound name
3-(1-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

383
References

556
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

literature stripe

Patent stripe

patents stripe