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

16
Patents

240.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 158.0
[M+Na]+ 263.16177 157.8
[M-H]- 239.16527 159.6
[M+NH4]+ 258.20637 173.0
[M+K]+ 279.13571 155.5
[M+H-H2O]+ 223.16981 151.8
[M+HCOO]- 285.17075 168.9
[M+CH3COO]- 299.18640 185.7
[M+Na-2H]- 261.14722 158.9
[M]+ 240.17200 147.4
[M]- 240.17310 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe