CID 37605

37011-99-7

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

C1CC(C1)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H19N/c1-2-7-14-11-15(9-8-13(14)6-1)10-12-4-3-5-12/h1-2,6-7,12H,3-5,8-11H2

InChIKey

QSGGFVBYYSLJQD-UHFFFAOYSA-N

Compound name

2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.15175 Da
Monoisotopic Mass: 3.1
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]+	202.159026	140.9
[M+Na]+	224.140968	145.4
[M-H]-	200.144474	145.8
[M+NH4]+	219.185573	153.2
[M+K]+	240.114908	144.9
[M+H-H2O]+	184.149010	128.3
[M+HCOO]-	246.149951	158.1
[M+CH3COO]-	260.165601	189.8
[M+Na-2H]-	222.126416	146.9
[M]+	201.15120142	145.2
[M]-	201.15229858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe