CID 383707

Nsc672128

Structural Information

Molecular Formula
C19H26O10
SMILES
CC(=CC1C(C(=O)C(C(C1(CC(=O)OC)O)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C19H26O10/c1-9(2)7-10-12(16(22)27-4)15(21)13(17(23)28-5)14(18(24)29-6)19(10,25)8-11(20)26-3/h7,10,12-14,25H,8H2,1-6H3
InChIKey
IWJCLYJPNHEVAA-UHFFFAOYSA-N
Compound name
trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-5-(2-methylprop-1-enyl)-3-oxocyclohexane-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1526 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15988 181.8
[M+Na]+ 437.14182 186.7
[M-H]- 413.14532 183.4
[M+NH4]+ 432.18642 212.6
[M+K]+ 453.11576 188.6
[M+H-H2O]+ 397.14986 177.7
[M+HCOO]- 459.15080 213.8
[M+CH3COO]- 473.16645 223.9
[M+Na-2H]- 435.12727 176.6
[M]+ 414.15205 188.9
[M]- 414.15315 188.9
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.