CID 17750098

20426-84-0

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

C=C1CCCOC2=CC=CC=C12

InChI

InChI=1S/C11H12O/c1-9-5-4-8-12-11-7-3-2-6-10(9)11/h2-3,6-7H,1,4-5,8H2

InChIKey

NDIXWUOXAVIQBZ-UHFFFAOYSA-N

Compound name

5-methylidene-3,4-dihydro-2H-1-benzoxepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 160.08882 Da
Monoisotopic Mass: 2.7
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]+	161.09610	132.5
[M+Na]+	183.07804	144.3
[M+NH4]+	178.12264	141.7
[M+K]+	199.05198	138.7
[M-H]-	159.08154	136.7
[M+Na-2H]-	181.06349	139.0
[M]+	160.08827	135.5
[M]-	160.08937	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe