CID 26458

14097-39-3

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CN1CCC2=C(C1)C=CC(=C2)O

InChI

InChI=1S/C10H13NO/c1-11-5-4-8-6-10(12)3-2-9(8)7-11/h2-3,6,12H,4-5,7H2,1H3

InChIKey

BMLTXAQSFDCMHA-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.10700	133.7
[M+Na]+	186.08894	141.5
[M-H]-	162.09244	135.4
[M+NH4]+	181.13354	153.8
[M+K]+	202.06288	138.5
[M+H-H2O]+	146.09698	127.5
[M+HCOO]-	208.09792	152.4
[M+CH3COO]-	222.11357	176.7
[M+Na-2H]-	184.07439	140.8
[M]+	163.09917	130.7
[M]-	163.10027	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe