CID 33152

2h-pyran, tetrahydro-2-ethoxy-4-methyl-

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CCOC1CC(CCO1)C

InChI

InChI=1S/C8H16O2/c1-3-9-8-6-7(2)4-5-10-8/h7-8H,3-6H2,1-2H3

InChIKey

KVXADUFVDCQARL-UHFFFAOYSA-N

Compound name

2-ethoxy-4-methyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 144.11504 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]+	145.122316	130.7
[M+Na]+	167.104258	136.4
[M-H]-	143.107764	134.4
[M+NH4]+	162.148863	151.1
[M+K]+	183.078198	137.5
[M+H-H2O]+	127.112300	125.4
[M+HCOO]-	189.113241	150.8
[M+CH3COO]-	203.128891	174.5
[M+Na-2H]-	165.089706	136.9
[M]+	144.11449142	129.9
[M]-	144.11558858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe