CID 86848

Ethoxybornane

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCOC1CC2CCC1(C2(C)C)C

InChI

InChI=1S/C12H22O/c1-5-13-10-8-9-6-7-12(10,4)11(9,2)3/h9-10H,5-8H2,1-4H3

InChIKey

FTRQTUIGTQZQBL-UHFFFAOYSA-N

Compound name

2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 946
Patents: 182.16707 Da
Monoisotopic Mass: 3.6
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]+	183.17435	143.8
[M+Na]+	205.15629	152.3
[M-H]-	181.15979	147.0
[M+NH4]+	200.20089	173.3
[M+K]+	221.13023	150.0
[M+H-H2O]+	165.16433	141.0
[M+HCOO]-	227.16527	164.2
[M+CH3COO]-	241.18092	184.2
[M+Na-2H]-	203.14174	147.7
[M]+	182.16652	145.3
[M]-	182.16762	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe