CID 18613788

2580185-08-4

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

CC1C2=C(CCN1)C=CC(=C2)Cl

InChI

InChI=1S/C10H12ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3

InChIKey

GHIIYGFXXDYEKQ-UHFFFAOYSA-N

Compound name

7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 181.06583 Da
Monoisotopic Mass: 2.4
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]+	182.073106	136.6
[M+Na]+	204.055048	145.3
[M-H]-	180.058554	138.0
[M+NH4]+	199.099653	156.8
[M+K]+	220.028988	139.9
[M+H-H2O]+	164.063090	131.2
[M+HCOO]-	226.064031	150.4
[M+CH3COO]-	240.079681	149.1
[M+Na-2H]-	202.040496	143.2
[M]+	181.06528142	134.1
[M]-	181.06637858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe