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

2
Patents

217.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.8
[M+Na]+ 240.13589 156.8
[M-H]- 216.13939 154.2
[M+NH4]+ 235.18049 167.3
[M+K]+ 256.10983 152.8
[M+H-H2O]+ 200.14393 143.1
[M+HCOO]- 262.14487 169.7
[M+CH3COO]- 276.16052 187.0
[M+Na-2H]- 238.12134 155.0
[M]+ 217.14612 147.8
[M]- 217.14722 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