CID 186727

Gossyvertin

Structural Information

Molecular Formula
C16H18O4
SMILES
CC1=CC2=C(C(=C(C=C2C(C)C)O)C=O)C(=C1OC)O
InChI
InChI=1S/C16H18O4/c1-8(2)10-6-13(18)12(7-17)14-11(10)5-9(3)16(20-4)15(14)19/h5-8,18-19H,1-4H3
InChIKey
WDKQNEBNLKMOLB-UHFFFAOYSA-N
Compound name
2,8-dihydroxy-7-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.1205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 161.9
[M+Na]+ 297.10972 175.5
[M+NH4]+ 292.15432 169.0
[M+K]+ 313.08366 169.8
[M-H]- 273.11322 163.2
[M+Na-2H]- 295.09517 165.7
[M]+ 274.11995 164.2
[M]- 274.12105 164.2
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

No patent data available for this compound.