CID 623685

2,8-dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C16H18O4
SMILES
CC1=CC2=C(C(=C1)O)C(=C(C(=C2C(C)C)OC)O)C=O
InChI
InChI=1S/C16H18O4/c1-8(2)13-10-5-9(3)6-12(18)14(10)11(7-17)15(19)16(13)20-4/h5-8,18-19H,1-4H3
InChIKey
XOXRFBVTHNRDNY-UHFFFAOYSA-N
Compound name
2,8-dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
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

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