CID 89015

21690-93-7

Structural Information

Molecular Formula

C₁₁H₂₀O₄

SMILES

CC(C)(C)OOC(=O)OC1CCCCC1

InChI

InChI=1S/C11H20O4/c1-11(2,3)15-14-10(12)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

BBVLYGIYPWGECH-UHFFFAOYSA-N

Compound name

cyclohexyl (2-methylpropan-2-yl)oxy carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 216.13615 Da
Monoisotopic Mass: 3.4
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]+	217.143426	149.8
[M+Na]+	239.125368	153.8
[M-H]-	215.128874	152.3
[M+NH4]+	234.169973	168.2
[M+K]+	255.099308	154.5
[M+H-H2O]+	199.133410	144.2
[M+HCOO]-	261.134351	167.9
[M+CH3COO]-	275.150001	184.9
[M+Na-2H]-	237.110816	153.7
[M]+	216.13560142	150.0
[M]-	216.13669858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe