CID 73942

4-acetamidobenzaldehyde

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC(=O)NC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)
InChIKey
SKLUWKYNZNXSLX-UHFFFAOYSA-N
Compound name
N-(4-formylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2210
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.8
[M+Na]+ 186.05254 139.7
[M-H]- 162.05604 135.9
[M+NH4]+ 181.09714 152.4
[M+K]+ 202.02648 138.1
[M+H-H2O]+ 146.06058 126.1
[M+HCOO]- 208.06152 157.4
[M+CH3COO]- 222.07717 179.7
[M+Na-2H]- 184.03799 138.5
[M]+ 163.06277 132.2
[M]- 163.06387 132.2
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