CID 95863

Glycolic acid, dicyclohexyl-

Structural Information

Molecular Formula

C₁₄H₂₄O₃

SMILES

C1CCC(CC1)C(C2CCCCC2)(C(=O)O)O

InChI

InChI=1S/C14H24O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H,15,16)

InChIKey

LZEAYFSRBRGLSF-UHFFFAOYSA-N

Compound name

2,2-dicyclohexyl-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 240.17255 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]+	241.17983	158.1
[M+Na]+	263.16177	165.3
[M+NH4]+	258.20637	165.4
[M+K]+	279.13571	161.0
[M-H]-	239.16527	159.4
[M+Na-2H]-	261.14722	161.4
[M]+	240.17200	159.1
[M]-	240.17310	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe