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

2362
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 131.8
[M+Na]+ 186.052538 139.7
[M-H]- 162.056044 135.9
[M+NH4]+ 181.097143 152.4
[M+K]+ 202.026478 138.1
[M+H-H2O]+ 146.060580 126.1
[M+HCOO]- 208.061521 157.4
[M+CH3COO]- 222.077171 179.7
[M+Na-2H]- 184.037986 138.5
[M]+ 163.06277142 132.2
[M]- 163.06386858 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