CID 82277916

1368407-47-9

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C1CC12COC3=CC=CC=C3C2=O

InChI

InChI=1S/C11H10O2/c12-10-8-3-1-2-4-9(8)13-7-11(10)5-6-11/h1-4H,5-7H2

InChIKey

VIYPIHVEAISRIU-UHFFFAOYSA-N

Compound name

spiro[2H-chromene-3,1'-cyclopropane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.06808 Da
Monoisotopic Mass: 1.7
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]+	175.07536	136.5
[M+Na]+	197.05730	147.2
[M-H]-	173.06080	145.0
[M+NH4]+	192.10190	154.0
[M+K]+	213.03124	146.1
[M+H-H2O]+	157.06534	130.6
[M+HCOO]-	219.06628	156.9
[M+CH3COO]-	233.08193	150.5
[M+Na-2H]-	195.04275	146.6
[M]+	174.06753	138.5
[M]-	174.06863	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe