CID 23437650

3-(3,4-dihydroxyphenyl)propanal

Structural Information

Molecular Formula
C9H10O3
SMILES
C1=CC(=C(C=C1CCC=O)O)O
InChI
InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-6,11-12H,1-2H2
InChIKey
HVIBSLHISRRALT-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

166.06299 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.2
[M+Na]+ 189.05221 140.8
[M-H]- 165.05571 133.7
[M+NH4]+ 184.09681 151.8
[M+K]+ 205.02615 138.1
[M+H-H2O]+ 149.06025 127.2
[M+HCOO]- 211.06119 154.6
[M+CH3COO]- 225.07684 173.6
[M+Na-2H]- 187.03766 138.1
[M]+ 166.06244 132.8
[M]- 166.06354 132.8
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