CID 12928004

3,5-dihydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H8O4
SMILES
COC1=C(C=C(C=C1O)C=O)O
InChI
InChI=1S/C8H8O4/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-4,10-11H,1H3
InChIKey
UAFQVVYJCLAIGY-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

168.04225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.049526 129.7
[M+Na]+ 191.031468 139.6
[M-H]- 167.034974 131.8
[M+NH4]+ 186.076073 149.5
[M+K]+ 207.005408 137.8
[M+H-H2O]+ 151.039510 124.9
[M+HCOO]- 213.040451 152.7
[M+CH3COO]- 227.056101 173.9
[M+Na-2H]- 189.016916 135.5
[M]+ 168.04170142 131.8
[M]- 168.04279858 131.8
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