CID 14833043

24425-00-1

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

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

InChI

InChI=1S/C8H14O5/c1-5(2)11-7(9)13-8(10)12-6(3)4/h5-6H,1-4H3

InChIKey

OQQTZLSEKBDXRS-UHFFFAOYSA-N

Compound name

propan-2-yl propan-2-yloxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 799
Patents: 190.08412 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]+	191.091396	140.0
[M+Na]+	213.073338	146.4
[M-H]-	189.076844	140.4
[M+NH4]+	208.117943	159.7
[M+K]+	229.047278	148.8
[M+H-H2O]+	173.081380	135.1
[M+HCOO]-	235.082321	161.0
[M+CH3COO]-	249.097971	182.2
[M+Na-2H]-	211.058786	141.3
[M]+	190.08357142	145.1
[M]-	190.08466858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe