CID 54691071

Nsc672127

Structural Information

Molecular Formula
C19H26O10
SMILES
CC1C(C(C2(C(C1C(=C(C2C(=O)OC)O)C(=O)OC)C(=O)OC)O)C(=O)OC)C
InChI
InChI=1S/C19H26O10/c1-7-8(2)11(16(22)27-4)19(25)12(17(23)28-5)9(7)10(15(21)26-3)14(20)13(19)18(24)29-6/h7-9,11-13,20,25H,1-6H3
InChIKey
WTARNIIZXJFCAC-UHFFFAOYSA-N
Compound name
tetramethyl 3,5-dihydroxy-7,8-dimethylbicyclo[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

414.1526 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15988 184.0
[M+Na]+ 437.14182 189.9
[M-H]- 413.14532 183.9
[M+NH4]+ 432.18642 197.2
[M+K]+ 453.11576 191.7
[M+H-H2O]+ 397.14986 180.4
[M+HCOO]- 459.15080 194.3
[M+CH3COO]- 473.16645 225.4
[M+Na-2H]- 435.12727 181.4
[M]+ 414.15205 191.4
[M]- 414.15315 191.4
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.