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 160.5
[M+Na]+ 297.10972 170.5
[M-H]- 273.11322 163.5
[M+NH4]+ 292.15432 177.6
[M+K]+ 313.08366 167.1
[M+H-H2O]+ 257.11776 154.9
[M+HCOO]- 319.11870 179.4
[M+CH3COO]- 333.13435 200.6
[M+Na-2H]- 295.09517 162.0
[M]+ 274.11995 164.8
[M]- 274.12105 164.8
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.