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

2
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

patents stripe