CID 536818

Diisopropyl carbonate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

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

InChI

InChI=1S/C7H14O3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3

InChIKey

JMPVESVJOFYWTB-UHFFFAOYSA-N

Compound name

dipropan-2-yl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27493
Patents: 146.0943 Da
Monoisotopic Mass: 2.1
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]+	147.101576	131.5
[M+Na]+	169.083518	138.2
[M-H]-	145.087024	132.1
[M+NH4]+	164.128123	153.2
[M+K]+	185.057458	140.0
[M+H-H2O]+	129.091560	127.1
[M+HCOO]-	191.092501	153.1
[M+CH3COO]-	205.108151	176.5
[M+Na-2H]-	167.068966	134.5
[M]+	146.09375142	134.9
[M]-	146.09484858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe