CID 6453965

3-(2-hydroxyethoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

375
Patents

166.06299 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.0
[M+Na]+ 189.05221 140.1
[M-H]- 165.05571 134.5
[M+NH4]+ 184.09681 152.1
[M+K]+ 205.02615 138.3
[M+H-H2O]+ 149.06025 126.5
[M+HCOO]- 211.06119 156.0
[M+CH3COO]- 225.07684 175.0
[M+Na-2H]- 187.03766 139.1
[M]+ 166.06244 134.1
[M]- 166.06354 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