CID 3082870

Momc acid

Structural Information

Molecular Formula
C19H32O6
SMILES
CC[C@H](C)C(=O)OC[C@H]1CCCC[C@@H]1CCC(=O)C[C@H](CC(=O)O)O
InChI
InChI=1S/C19H32O6/c1-3-13(2)19(24)25-12-15-7-5-4-6-14(15)8-9-16(20)10-17(21)11-18(22)23/h13-15,17,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17+/m0/s1
InChIKey
AYDQTMUTROEPAE-KLZNWCGWSA-N
Compound name
(3R)-3-hydroxy-7-[(1R,2S)-2-[[(2S)-2-methylbutanoyl]oxymethyl]cyclohexyl]-5-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.21988 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22716 186.2
[M+Na]+ 379.20910 190.1
[M+NH4]+ 374.25370 188.9
[M+K]+ 395.18304 188.4
[M-H]- 355.21260 182.6
[M+Na-2H]- 377.19455 183.6
[M]+ 356.21933 184.9
[M]- 356.22043 184.9
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

No patent data available for this compound.