CID 24257522

1017179-87-1

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C)C1C2=C(CCN1)C=C(C=C2)OC

InChI

InChI=1S/C13H19NO/c1-9(2)13-12-5-4-11(15-3)8-10(12)6-7-14-13/h4-5,8-9,13-14H,6-7H2,1-3H3

InChIKey

NUJWYCUNDWENRN-UHFFFAOYSA-N

Compound name

6-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.14667 Da
Monoisotopic Mass: 2.7
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]+	206.15395	147.5
[M+Na]+	228.13589	160.1
[M+NH4]+	223.18049	156.5
[M+K]+	244.10983	153.1
[M-H]-	204.13939	149.7
[M+Na-2H]-	226.12134	152.7
[M]+	205.14612	149.9
[M]-	205.14722	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe