CID 12910875

2-(3-hydroxyphenyl)-2-oxoacetaldehyde

Structural Information

Molecular Formula
C8H6O3
SMILES
C1=CC(=CC(=C1)O)C(=O)C=O
InChI
InChI=1S/C8H6O3/c9-5-8(11)6-2-1-3-7(10)4-6/h1-5,10H
InChIKey
BFHONQWJUMCAKI-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

150.0317 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 126.1
[M+Na]+ 173.02092 134.7
[M-H]- 149.02442 129.0
[M+NH4]+ 168.06552 146.7
[M+K]+ 188.99486 133.1
[M+H-H2O]+ 133.02896 121.1
[M+HCOO]- 195.02990 149.7
[M+CH3COO]- 209.04555 171.9
[M+Na-2H]- 171.00637 132.6
[M]+ 150.03115 126.5
[M]- 150.03225 126.5
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