CID 89314815

2-hydroxy-5-(1-hydroxyethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

166.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 132.3
[M+Na]+ 189.052208 140.7
[M-H]- 165.055714 134.0
[M+NH4]+ 184.096813 151.9
[M+K]+ 205.026148 138.5
[M+H-H2O]+ 149.060250 127.5
[M+HCOO]- 211.061191 153.8
[M+CH3COO]- 225.076841 174.5
[M+Na-2H]- 187.037656 137.0
[M]+ 166.06244142 132.3
[M]- 166.06353858 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe