CID 60748

Pivalyloxymethyl butyrate

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CCCC(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3

InChIKey

GYKLFBYWXZYSOW-UHFFFAOYSA-N

Compound name

butanoyloxymethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 35
References: 3603
Patents: 202.12051 Da
Monoisotopic Mass: 2.3
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]+	203.127786	145.9
[M+Na]+	225.109728	152.3
[M-H]-	201.113234	146.1
[M+NH4]+	220.154333	165.4
[M+K]+	241.083668	153.1
[M+H-H2O]+	185.117770	141.3
[M+HCOO]-	247.118711	166.4
[M+CH3COO]-	261.134361	185.3
[M+Na-2H]-	223.095176	149.4
[M]+	202.11996142	151.2
[M]-	202.12105858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe