CID 118902469

1884203-48-8

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC1(CC=C(CO1)C(=O)OC)C

InChI

InChI=1S/C9H14O3/c1-9(2)5-4-7(6-12-9)8(10)11-3/h4H,5-6H2,1-3H3

InChIKey

MWQVTOYMGMRQEY-UHFFFAOYSA-N

Compound name

methyl 6,6-dimethyl-2,5-dihydropyran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 170.0943 Da
Monoisotopic Mass: 1.0
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]+	171.10158	135.6
[M+Na]+	193.08352	147.0
[M+NH4]+	188.12812	145.0
[M+K]+	209.05746	140.4
[M-H]-	169.08702	138.1
[M+Na-2H]-	191.06897	141.8
[M]+	170.09375	138.0
[M]-	170.09485	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe