CID 108262

54839-25-7

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

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

InChI

InChI=1S/C8H16O3/c1-6(2)10-5-7(3)11-8(4)9/h6-7H,5H2,1-4H3

InChIKey

JQTIDYJFCNWJFO-UHFFFAOYSA-N

Compound name

1-propan-2-yloxypropan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 628
Patents: 160.10994 Da
Monoisotopic Mass: 1.2
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]+	161.11722	135.8
[M+Na]+	183.09916	144.7
[M+NH4]+	178.14376	142.6
[M+K]+	199.07310	141.2
[M-H]-	159.10266	134.0
[M+Na-2H]-	181.08461	137.9
[M]+	160.10939	136.2
[M]-	160.11049	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe