CID 2736737

306935-16-0

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

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

InChI

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

InChIKey

CNHMFZIFLREWPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
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	147.9
[M+Na]+	237.10973	155.4
[M+NH4]+	232.15433	156.7
[M+K]+	253.08367	150.6
[M-H]-	213.11323	146.4
[M+Na-2H]-	235.09518	152.0
[M]+	214.11996	148.4
[M]-	214.12106	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe