CID 3038290

Tetrasodium byssochlamic acid

Structural Information

Molecular Formula
C18H24O8
SMILES
CCCC/1C/C(=C(\CC(C/C(=C1/C(=O)O)/C(=O)O)CC)/C(=O)O)/C(=O)O
InChI
InChI=1S/C18H24O8/c1-3-5-10-8-12(16(21)22)11(15(19)20)6-9(4-2)7-13(17(23)24)14(10)18(25)26/h9-10H,3-8H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/b12-11-,14-13-
InChIKey
MKOVEOVZVSLTEI-OSZYEJKESA-N
Compound name
(1Z,5Z)-8-ethyl-3-propylcyclonona-1,5-diene-1,2,5,6-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15441 209.8
[M+Na]+ 391.13635 209.8
[M-H]- 367.13985 208.9
[M+NH4]+ 386.18095 209.0
[M+K]+ 407.11029 207.8
[M+H-H2O]+ 351.14439 200.2
[M+HCOO]- 413.14533 209.4
[M+CH3COO]- 427.16098 209.7
[M+Na-2H]- 389.12180 209.9
[M]+ 368.14658 209.0
[M]- 368.14768 209.0
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.