CID 131874710

1638298-75-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CC2(CC3=C1N=CC(=C3)N)OCCO2

InChI

InChI=1S/C11H14N2O2/c12-9-5-8-6-11(14-3-4-15-11)2-1-10(8)13-7-9/h5,7H,1-4,6,12H2

InChIKey

ULHJLOKKGIPYKF-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-3'-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.10553 Da
Monoisotopic Mass: 0.3
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]+	207.112806	142.6
[M+Na]+	229.094748	149.9
[M-H]-	205.098254	148.4
[M+NH4]+	224.139353	162.0
[M+K]+	245.068688	149.1
[M+H-H2O]+	189.102790	135.9
[M+HCOO]-	251.103731	160.5
[M+CH3COO]-	265.119381	155.2
[M+Na-2H]-	227.080196	150.4
[M]+	206.10498142	139.0
[M]-	206.10607858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe