CID 95558

Tetrahydro-2h-pyran-2-methanol acetate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=O)OCC1CCCCO1

InChI

InChI=1S/C8H14O3/c1-7(9)11-6-8-4-2-3-5-10-8/h8H,2-6H2,1H3

InChIKey

PQIWIDSTJDBALT-UHFFFAOYSA-N

Compound name

oxan-2-ylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 158.0943 Da
Monoisotopic Mass: 0.9
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]+	159.10158	133.4
[M+Na]+	181.08352	138.2
[M-H]-	157.08702	136.8
[M+NH4]+	176.12812	152.7
[M+K]+	197.05746	139.6
[M+H-H2O]+	141.09156	127.8
[M+HCOO]-	203.09250	152.9
[M+CH3COO]-	217.10815	174.7
[M+Na-2H]-	179.06897	139.0
[M]+	158.09375	132.2
[M]-	158.09485	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe