CID 66745308

2094153-64-5

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1COCCC12CC(C3=CC=CC=C3O2)N

InChI

InChI=1S/C13H17NO2/c14-11-9-13(5-7-15-8-6-13)16-12-4-2-1-3-10(11)12/h1-4,11H,5-9,14H2

InChIKey

OTXULXLQTUIVQV-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 219.12593 Da
Monoisotopic Mass: 1.1
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]+	220.13321	149.8
[M+Na]+	242.11515	162.1
[M+NH4]+	237.15975	161.2
[M+K]+	258.08909	153.6
[M-H]-	218.11865	157.4
[M+Na-2H]-	240.10060	156.5
[M]+	219.12538	153.9
[M]-	219.12648	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe