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 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

patents stripe