CID 256817

2h-pyran-2-methanol, tetrahydro-2,5-dimethyl-, acetate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC1CCC(OC1)(C)COC(=O)C

InChI

InChI=1S/C10H18O3/c1-8-4-5-10(3,13-6-8)7-12-9(2)11/h8H,4-7H2,1-3H3

InChIKey

WUJUWGCPLYEOOS-UHFFFAOYSA-N

Compound name

(2,5-dimethyloxan-2-yl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.1256 Da
Monoisotopic Mass: 1.5
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]+	187.132876	140.7
[M+Na]+	209.114818	146.6
[M-H]-	185.118324	144.6
[M+NH4]+	204.159423	161.3
[M+K]+	225.088758	147.8
[M+H-H2O]+	169.122860	136.0
[M+HCOO]-	231.123801	159.6
[M+CH3COO]-	245.139451	181.5
[M+Na-2H]-	207.100266	145.9
[M]+	186.12505142	141.0
[M]-	186.12614858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe