CID 95056

5233-54-5

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CN1CCC(=CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3

InChIKey

GIGCUVKCMPXMAZ-UHFFFAOYSA-N

Compound name

4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 189.11537 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.12265	141.6
[M+Na]+	212.10459	148.5
[M-H]-	188.10809	145.5
[M+NH4]+	207.14919	159.3
[M+K]+	228.07853	145.0
[M+H-H2O]+	172.11263	134.4
[M+HCOO]-	234.11357	161.3
[M+CH3COO]-	248.12922	181.0
[M+Na-2H]-	210.09004	147.0
[M]+	189.11482	138.0
[M]-	189.11592	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe