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]+	171.101576	134.1
[M+Na]+	193.083518	141.5
[M-H]-	169.087024	138.6
[M+NH4]+	188.128123	155.5
[M+K]+	209.057458	142.8
[M+H-H2O]+	153.091560	129.6
[M+HCOO]-	215.092501	154.9
[M+CH3COO]-	229.108151	178.1
[M+Na-2H]-	191.068966	140.9
[M]+	170.09375142	135.5
[M]-	170.09484858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe