CID 88442

Ethylene dipivalate

Structural Information

Molecular Formula

C₁₂H₂₂O₄

SMILES

CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C

InChI

InChI=1S/C12H22O4/c1-11(2,3)9(13)15-7-8-16-10(14)12(4,5)6/h7-8H2,1-6H3

InChIKey

CECHHHFZXNTPMP-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropanoyloxy)ethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 155
Patents: 230.15181 Da
Monoisotopic Mass: 2.8
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]+	231.159086	153.4
[M+Na]+	253.141028	159.5
[M-H]-	229.144534	153.7
[M+NH4]+	248.185633	172.0
[M+K]+	269.114968	160.4
[M+H-H2O]+	213.149070	149.4
[M+HCOO]-	275.150011	171.8
[M+CH3COO]-	289.165661	191.1
[M+Na-2H]-	251.126476	157.1
[M]+	230.15126142	159.0
[M]-	230.15235858	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe