CID 274491

306935-15-9

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

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

InChI

InChI=1S/C11H18O4/c1-10(2)7(8(12)15-4)5-6-11(10,3)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)

InChIKey

VFNNTVXOZWMVGX-UHFFFAOYSA-N

Compound name

3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 48
Patents: 214.12051 Da
Monoisotopic Mass: 1.7
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]+	215.12779	144.6
[M+Na]+	237.10973	152.4
[M-H]-	213.11323	147.3
[M+NH4]+	232.15433	168.6
[M+K]+	253.08367	151.9
[M+H-H2O]+	197.11777	142.3
[M+HCOO]-	259.11871	164.1
[M+CH3COO]-	273.13436	184.7
[M+Na-2H]-	235.09518	146.7
[M]+	214.11996	145.9
[M]-	214.12106	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe