CID 348846

Dimethyl camphorate

Structural Information

Molecular Formula

C₁₂H₂₀O₄

SMILES

CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3

InChIKey

JTQKJWYDOXYYBH-UHFFFAOYSA-N

Compound name

dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 228.13615 Da
Monoisotopic Mass: 2.0
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]+	229.14343	151.9
[M+Na]+	251.12537	159.8
[M+NH4]+	246.16997	160.9
[M+K]+	267.09931	154.4
[M-H]-	227.12887	150.9
[M+Na-2H]-	249.11082	156.3
[M]+	228.13560	152.7
[M]-	228.13670	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe