CID 22123692

Cyclohexyl isopropyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)OC(=O)OC1CCCCC1

InChI

InChI=1S/C10H18O3/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

VTDCYOLLYVAJSY-UHFFFAOYSA-N

Compound name

cyclohexyl propan-2-yl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1936
Patents: 186.1256 Da
Monoisotopic Mass: 3.1
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]+	187.13288	143.1
[M+Na]+	209.11482	146.8
[M-H]-	185.11832	145.6
[M+NH4]+	204.15942	162.5
[M+K]+	225.08876	147.3
[M+H-H2O]+	169.12286	137.3
[M+HCOO]-	231.12380	161.9
[M+CH3COO]-	245.13945	181.0
[M+Na-2H]-	207.10027	145.3
[M]+	186.12505	141.3
[M]-	186.12615	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe