CID 3022475

(tetrahydro-2-furyl)methyl isovalerate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)CC(=O)OCC1CCCO1

InChI

InChI=1S/C10H18O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3

InChIKey

JBXNPSNIQOJUOE-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl 3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 186.1256 Da
Monoisotopic Mass: 1.8
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]+	187.132876	144.5
[M+Na]+	209.114818	149.1
[M-H]-	185.118324	147.8
[M+NH4]+	204.159423	164.4
[M+K]+	225.088758	150.3
[M+H-H2O]+	169.122860	139.1
[M+HCOO]-	231.123801	164.4
[M+CH3COO]-	245.139451	181.3
[M+Na-2H]-	207.100266	146.4
[M]+	186.12505142	145.4
[M]-	186.12614858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe