CID 12306720

Anziaic acid

Structural Information

Molecular Formula
C24H30O7
SMILES
CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC
InChI
InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29)
InChIKey
BEFYPHLCGVCBFF-UHFFFAOYSA-N
Compound name
4-(2,4-dihydroxy-6-pentylbenzoyl)oxy-2-hydroxy-6-pentylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

430.19916 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.206436 203.4
[M+Na]+ 453.188378 208.1
[M-H]- 429.191884 204.6
[M+NH4]+ 448.232983 210.7
[M+K]+ 469.162318 204.0
[M+H-H2O]+ 413.196420 195.1
[M+HCOO]- 475.197361 217.8
[M+CH3COO]- 489.213011 224.5
[M+Na-2H]- 451.173826 198.2
[M]+ 430.19861142 208.3
[M]- 430.19970858 208.3
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