CID 91557907

En300-37385076

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

C1CCC2(C1)C3=CC=CC=C3CCN2

InChI

InChI=1S/C13H17N/c1-2-6-12-11(5-1)7-10-14-13(12)8-3-4-9-13/h1-2,5-6,14H,3-4,7-10H2

InChIKey

IYFCZCVFISKZNC-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 187.1361 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]+	188.14338	143.7
[M+Na]+	210.12532	149.4
[M-H]-	186.12882	146.7
[M+NH4]+	205.16992	166.1
[M+K]+	226.09926	144.6
[M+H-H2O]+	170.13336	136.6
[M+HCOO]-	232.13430	160.5
[M+CH3COO]-	246.14995	155.1
[M+Na-2H]-	208.11077	149.3
[M]+	187.13555	135.8
[M]-	187.13665	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe