CID 10359290

Salvicine

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC(C(C)(C)O)O
InChI
InChI=1S/C20H26O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,16,21,24H,8-9H2,1-5H3
InChIKey
NZIUPDOWWMGNCV-UHFFFAOYSA-N
Compound name
8-(3,4-dihydroxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

41
Patents

330.1831 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 177.9
[M+Na]+ 353.17232 184.6
[M-H]- 329.17582 179.7
[M+NH4]+ 348.21692 192.3
[M+K]+ 369.14626 181.1
[M+H-H2O]+ 313.18036 172.5
[M+HCOO]- 375.18130 191.6
[M+CH3COO]- 389.19695 212.2
[M+Na-2H]- 351.15777 177.1
[M]+ 330.18255 180.0
[M]- 330.18365 180.0
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.