CID 79390

5399-21-3

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC1=C(CCCO1)C(=O)O

InChI

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

InChIKey

LPCRMEXGDMZEMF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 142.06299 Da
Monoisotopic Mass: 0.8
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]+	143.07027	127.3
[M+Na]+	165.05221	138.4
[M+NH4]+	160.09681	135.2
[M+K]+	181.02615	134.2
[M-H]-	141.05571	129.3
[M+Na-2H]-	163.03766	131.7
[M]+	142.06244	129.2
[M]-	142.06354	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.