CID 54687037

Nsc672126

Structural Information

Molecular Formula
C18H24O10
SMILES
CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC
InChI
InChI=1S/C18H24O10/c1-7-6-8-9(14(20)25-2)13(19)12(17(23)28-5)18(24,10(7)15(21)26-3)11(8)16(22)27-4/h7-8,10-12,19,24H,6H2,1-5H3
InChIKey
MRGZUAQTUKEBIR-UHFFFAOYSA-N
Compound name
tetramethyl 3,5-dihydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13693 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14421 180.9
[M+Na]+ 423.12615 186.4
[M-H]- 399.12965 180.7
[M+NH4]+ 418.17075 194.4
[M+K]+ 439.10009 188.2
[M+H-H2O]+ 383.13419 177.0
[M+HCOO]- 445.13513 191.6
[M+CH3COO]- 459.15078 221.0
[M+Na-2H]- 421.11160 179.2
[M]+ 400.13638 187.5
[M]- 400.13748 187.5
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.