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 187.9
[M+Na]+ 379.20910 187.3
[M-H]- 355.21260 186.2
[M+NH4]+ 374.25370 198.4
[M+K]+ 395.18304 186.2
[M+H-H2O]+ 339.21714 181.2
[M+HCOO]- 401.21808 198.6
[M+CH3COO]- 415.23373 212.3
[M+Na-2H]- 377.19455 180.7
[M]+ 356.21933 187.2
[M]- 356.22043 187.2
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.