CID 59614620

934554-38-8

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC2(C1)CC(C3=CC=CC=C3O2)N

InChI

InChI=1S/C12H15NO/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5,10H,3,6-8,13H2

InChIKey

QFQGXOGAIJYSFK-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 189.11537 Da
Monoisotopic Mass: 1.6
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]+	190.12265	135.8
[M+Na]+	212.10459	141.7
[M-H]-	188.10809	142.3
[M+NH4]+	207.14919	150.6
[M+K]+	228.07853	142.9
[M+H-H2O]+	172.11263	124.9
[M+HCOO]-	234.11357	154.5
[M+CH3COO]-	248.12922	148.3
[M+Na-2H]-	210.09004	144.4
[M]+	189.11482	140.4
[M]-	189.11592	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe