CID 18383990

3-acetylamino-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC(=O)NC1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C9H9NO3/c1-6(12)10-8-4-7(5-11)2-3-9(8)13/h2-5,13H,1H3,(H,10,12)
InChIKey
ODYOPAJBVPISJD-UHFFFAOYSA-N
Compound name
N-(5-formyl-2-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

179.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 135.0
[M+Na]+ 202.04746 143.2
[M-H]- 178.05096 138.0
[M+NH4]+ 197.09206 154.3
[M+K]+ 218.02140 141.3
[M+H-H2O]+ 162.05550 129.4
[M+HCOO]- 224.05644 159.2
[M+CH3COO]- 238.07209 180.5
[M+Na-2H]- 200.03291 140.4
[M]+ 179.05769 135.2
[M]- 179.05879 135.2
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