CID 11531145

Grifolic acid methyl ether

Structural Information

Molecular Formula
C24H34O4
SMILES
CC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC
InChI
InChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-21(28-6)15-19(5)22(23(20)25)24(26)27/h9,11,13,15,25H,7-8,10,12,14H2,1-6H3,(H,26,27)/b17-11+,18-13+
InChIKey
ARZABMWMUVWDJX-OUBUNXTGSA-N
Compound name
2-hydroxy-4-methoxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

386.2457 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25298 197.2
[M+Na]+ 409.23492 201.2
[M-H]- 385.23842 197.1
[M+NH4]+ 404.27952 208.1
[M+K]+ 425.20886 196.2
[M+H-H2O]+ 369.24296 190.6
[M+HCOO]- 431.24390 211.4
[M+CH3COO]- 445.25955 222.5
[M+Na-2H]- 407.22037 189.3
[M]+ 386.24515 200.6
[M]- 386.24625 200.6
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