CID 59342

N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CC1N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C12H15N/c1-2-4-11-9-13(12-5-6-12)8-7-10(11)3-1/h1-4,12H,5-9H2

InChIKey

AMFHBTUPZHVQHV-UHFFFAOYSA-N

Compound name

2-cyclopropyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.12045 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]+	174.12773	140.1
[M+Na]+	196.10967	148.5
[M-H]-	172.11317	146.4
[M+NH4]+	191.15427	155.1
[M+K]+	212.08361	144.9
[M+H-H2O]+	156.11771	132.3
[M+HCOO]-	218.11865	160.0
[M+CH3COO]-	232.13430	152.4
[M+Na-2H]-	194.09512	147.3
[M]+	173.11990	138.7
[M]-	173.12100	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe