CID 11642081

Dtxsid501022024

Structural Information

Molecular Formula

C₁₄H₂₆O₄

SMILES

CC1CCC(C(C1)OC(=O)OC(C)CO)C(C)C

InChI

InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3

InChIKey

ILYLFTONJARHOX-UHFFFAOYSA-N

Compound name

1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 258.1831 Da
Monoisotopic Mass: 3.7
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]+	259.19038	162.1
[M+Na]+	281.17232	169.6
[M+NH4]+	276.21692	168.0
[M+K]+	297.14626	166.2
[M-H]-	257.17582	161.4
[M+Na-2H]-	279.15777	162.8
[M]+	258.18255	162.5
[M]-	258.18365	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe