CID 271759

Ethyl 3-formyl-4-hydroxybenzoate

Structural Information

Molecular Formula
C10H10O4
SMILES
CCOC(=O)C1=CC(=C(C=C1)O)C=O
InChI
InChI=1S/C10H10O4/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-6,12H,2H2,1H3
InChIKey
WOANOAGQWVVXQR-UHFFFAOYSA-N
Compound name
ethyl 3-formyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

194.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.8
[M+Na]+ 217.04712 146.5
[M-H]- 193.05062 140.7
[M+NH4]+ 212.09172 156.9
[M+K]+ 233.02106 144.9
[M+H-H2O]+ 177.05516 132.4
[M+HCOO]- 239.05610 160.9
[M+CH3COO]- 253.07175 180.6
[M+Na-2H]- 215.03257 142.6
[M]+ 194.05735 140.7
[M]- 194.05845 140.7
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