CID 93989

2-(2-hydroxyethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H10O3
SMILES
C1=CC=C(C(=C1)C=O)OCCO
InChI
InChI=1S/C9H10O3/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,7,10H,5-6H2
InChIKey
WGHPWLUYIPUQOJ-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

166.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 132.0
[M+Na]+ 189.052208 140.1
[M-H]- 165.055714 134.5
[M+NH4]+ 184.096813 152.1
[M+K]+ 205.026148 138.3
[M+H-H2O]+ 149.060250 126.5
[M+HCOO]- 211.061191 156.0
[M+CH3COO]- 225.076841 175.0
[M+Na-2H]- 187.037656 139.1
[M]+ 166.06244142 134.1
[M]- 166.06353858 134.1
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