CID 89146

2-methylpropylene diacetate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(=O)OCC(C)(C)OC(=O)C

InChI

InChI=1S/C8H14O4/c1-6(9)11-5-8(3,4)12-7(2)10/h5H2,1-4H3

InChIKey

YXNVQGOUNCUZKH-UHFFFAOYSA-N

Compound name

(2-acetyloxy-2-methylpropyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.0892 Da
Monoisotopic Mass: 0.6
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]+	175.096476	136.1
[M+Na]+	197.078418	143.3
[M-H]-	173.081924	136.7
[M+NH4]+	192.123023	156.7
[M+K]+	213.052358	144.6
[M+H-H2O]+	157.086460	132.0
[M+HCOO]-	219.087401	157.3
[M+CH3COO]-	233.103051	180.0
[M+Na-2H]-	195.063866	140.8
[M]+	174.08865142	140.8
[M]-	174.08974858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe