CID 3068136

Phenol, 3-(1,2,5,6-tetrahydro-1-propyl-3-pyridinyl)-, hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
CCCN1CCC=C(C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5-7,10,16H,2,4,8-9,11H2,1H3
InChIKey
MWORWWZBFHCJDQ-UHFFFAOYSA-N
Compound name
3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 150.8
[M+Na]+ 240.135888 156.8
[M-H]- 216.139394 154.2
[M+NH4]+ 235.180493 167.3
[M+K]+ 256.109828 152.8
[M+H-H2O]+ 200.143930 143.1
[M+HCOO]- 262.144871 169.7
[M+CH3COO]- 276.160521 187.0
[M+Na-2H]- 238.121336 155.0
[M]+ 217.14612142 147.8
[M]- 217.14721858 147.8
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