CID 84651685

2248417-15-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=C2CCCNC2=C(C=C1)O

InChI

InChI=1S/C10H13NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h4-5,11-12H,2-3,6H2,1H3

InChIKey

GXXGXBKISXTVLK-UHFFFAOYSA-N

Compound name

5-methyl-1,2,3,4-tetrahydroquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 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]+	164.106996	134.3
[M+Na]+	186.088938	141.8
[M-H]-	162.092444	134.7
[M+NH4]+	181.133543	153.7
[M+K]+	202.062878	137.8
[M+H-H2O]+	146.096980	128.5
[M+HCOO]-	208.097921	151.5
[M+CH3COO]-	222.113571	174.2
[M+Na-2H]-	184.074386	140.9
[M]+	163.09917142	129.5
[M]-	163.10026858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe