CID 103720

53018-26-1

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CCOC1CC2CC1C3C2CC=C3

InChI

InChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3

InChIKey

MFSOXQKQXQKWST-UHFFFAOYSA-N

Compound name

9-ethoxytricyclo[5.2.1.02,6]dec-3-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 178.13577 Da
Monoisotopic Mass: 2.5
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]+	179.143046	144.6
[M+Na]+	201.124988	152.3
[M-H]-	177.128494	148.6
[M+NH4]+	196.169593	172.7
[M+K]+	217.098928	149.7
[M+H-H2O]+	161.133030	141.1
[M+HCOO]-	223.133971	165.6
[M+CH3COO]-	237.149621	158.2
[M+Na-2H]-	199.110436	146.0
[M]+	178.13522142	145.2
[M]-	178.13631858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe