CID 11219061

77341-67-4

Structural Information

Molecular Formula
C14H24O4
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC(=O)O)C(C)C
InChI
InChI=1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)/t10-,11+,12-/m1/s1
InChIKey
BLILOGGUTRWFNI-GRYCIOLGSA-N
Compound name
4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

5476
Patents

256.16745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 161.0
[M+Na]+ 279.15667 164.4
[M-H]- 255.16017 162.1
[M+NH4]+ 274.20127 177.2
[M+K]+ 295.13061 163.6
[M+H-H2O]+ 239.16471 155.3
[M+HCOO]- 301.16565 176.3
[M+CH3COO]- 315.18130 195.7
[M+Na-2H]- 277.14212 158.3
[M]+ 256.16690 159.8
[M]- 256.16800 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.