CID 12252326

Methyl 2-methyl-3,4-dihydro-2h-pyran-2-carboxylate

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

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

InChI

InChI=1S/C8H12O3/c1-8(7(9)10-2)5-3-4-6-11-8/h4,6H,3,5H2,1-2H3

InChIKey

XAAVJULVJSUCIO-UHFFFAOYSA-N

Compound name

methyl 2-methyl-3,4-dihydropyran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 156.07864 Da
Monoisotopic Mass: 1.3
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]+	157.085916	130.6
[M+Na]+	179.067858	137.5
[M-H]-	155.071364	134.9
[M+NH4]+	174.112463	152.2
[M+K]+	195.041798	139.0
[M+H-H2O]+	139.075900	126.0
[M+HCOO]-	201.076841	151.7
[M+CH3COO]-	215.092491	173.9
[M+Na-2H]-	177.053306	138.5
[M]+	156.07809142	131.3
[M]-	156.07918858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe