CID 151276

2-(4-hydroxy-3-methoxyphenyl)acetaldehyde

Structural Information

Molecular Formula
C9H10O3
SMILES
COC1=C(C=CC(=C1)CC=O)O
InChI
InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
InChIKey
GOQGGGANVKPMNH-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

277
Patents

166.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 131.3
[M+Na]+ 189.05221 140.4
[M-H]- 165.05571 134.3
[M+NH4]+ 184.09681 151.7
[M+K]+ 205.02615 138.6
[M+H-H2O]+ 149.06025 126.1
[M+HCOO]- 211.06119 155.3
[M+CH3COO]- 225.07684 176.1
[M+Na-2H]- 187.03766 137.8
[M]+ 166.06244 133.8
[M]- 166.06354 133.8
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