CID 119031692

1803594-66-2

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1COCCC12CC3=CC=CC=C3C2N

InChI

InChI=1S/C13H17NO/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13/h1-4,12H,5-9,14H2

InChIKey

YMVUPRCAIPRDRJ-UHFFFAOYSA-N

Compound name

spiro[1,3-dihydroindene-2,4'-oxane]-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 203.13101 Da
Monoisotopic Mass: 1.3
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]+	204.138286	144.4
[M+Na]+	226.120228	150.7
[M-H]-	202.123734	150.6
[M+NH4]+	221.164833	166.7
[M+K]+	242.094168	148.0
[M+H-H2O]+	186.128270	138.4
[M+HCOO]-	248.129211	163.7
[M+CH3COO]-	262.144861	156.9
[M+Na-2H]-	224.105676	150.5
[M]+	203.13046142	138.7
[M]-	203.13155858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe