CID 44151719

Einecs 296-634-2

Structural Information

Molecular Formula

C₁₃H₁₅ClO₂

SMILES

COC1(C2(O1)CCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C13H15ClO2/c1-15-13(10-6-2-3-7-11(10)14)12(16-13)8-4-5-9-12/h2-3,6-7H,4-5,8-9H2,1H3

InChIKey

PHPVXUNJYVSFDL-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-2-methoxy-1-oxaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.07605 Da
Monoisotopic Mass: 2.9
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]+	239.083326	148.7
[M+Na]+	261.065268	159.3
[M-H]-	237.068774	158.9
[M+NH4]+	256.109873	166.9
[M+K]+	277.039208	157.5
[M+H-H2O]+	221.073310	144.2
[M+HCOO]-	283.074251	165.8
[M+CH3COO]-	297.089901	162.3
[M+Na-2H]-	259.050716	155.5
[M]+	238.07550142	153.7
[M]-	238.07659858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe