CID 22965762

2-(3,6-dihydro-2h-pyran-4-yl)acetic acid

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1COCC=C1CC(=O)O

InChI

InChI=1S/C7H10O3/c8-7(9)5-6-1-3-10-4-2-6/h1H,2-5H2,(H,8,9)

InChIKey

HATZVAJENPPLIW-UHFFFAOYSA-N

Compound name

2-(3,6-dihydro-2H-pyran-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.06299 Da
Monoisotopic Mass: -0.2
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	127.4
[M+Na]+	165.052208	133.1
[M-H]-	141.055714	129.9
[M+NH4]+	160.096813	146.5
[M+K]+	181.026148	133.6
[M+H-H2O]+	125.060250	122.1
[M+HCOO]-	187.061191	147.2
[M+CH3COO]-	201.076841	169.3
[M+Na-2H]-	163.037656	134.0
[M]+	142.06244142	125.4
[M]-	142.06353858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe