CID 46941804

3',4'-dihydrospiro[azetidine-3,2'-[1]benzopyran]

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CC2(CNC2)OC3=CC=CC=C31

InChI

InChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-6-11(13-10)7-12-8-11/h1-4,12H,5-8H2

InChIKey

DBNDUWSEPSKARV-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydrochromene-2,3'-azetidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.09972 Da
Monoisotopic Mass: 1.5
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]+	176.10700	131.0
[M+Na]+	198.08894	137.1
[M-H]-	174.09244	135.1
[M+NH4]+	193.13354	144.7
[M+K]+	214.06288	137.9
[M+H-H2O]+	158.09698	119.8
[M+HCOO]-	220.09792	147.0
[M+CH3COO]-	234.11357	143.1
[M+Na-2H]-	196.07439	141.1
[M]+	175.09917	135.2
[M]-	175.10027	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe