CID 166000570

4-methyl-5,6-dihydro-2h-pyran-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC1=C(COCC1)C(=O)O

InChI

InChI=1S/C7H10O3/c1-5-2-3-10-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

TYKIUSMKPCGAPY-UHFFFAOYSA-N

Compound name

4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.06299 Da
Monoisotopic Mass: -0.1
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]+	143.070266	126.7
[M+Na]+	165.052208	133.5
[M-H]-	141.055714	129.7
[M+NH4]+	160.096813	146.3
[M+K]+	181.026148	134.0
[M+H-H2O]+	125.060250	121.8
[M+HCOO]-	187.061191	146.5
[M+CH3COO]-	201.076841	170.5
[M+Na-2H]-	163.037656	132.7
[M]+	142.06244142	125.2
[M]-	142.06353858	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe