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: 7
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]+	206.153946	147.8
[M+Na]+	228.135888	154.0
[M-H]-	204.139394	149.0
[M+NH4]+	223.180493	166.1
[M+K]+	244.109828	150.7
[M+H-H2O]+	188.143930	141.1
[M+HCOO]-	250.144871	164.4
[M+CH3COO]-	264.160521	186.7
[M+Na-2H]-	226.121336	152.0
[M]+	205.14612142	145.2
[M]-	205.14721858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe