CID 256849

N-(3-formylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
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 133.4
[M+Na]+ 186.05254 145.3
[M+NH4]+ 181.09714 141.3
[M+K]+ 202.02648 139.5
[M-H]- 162.05604 135.4
[M+Na-2H]- 184.03799 140.1
[M]+ 163.06277 135.4
[M]- 163.06387 135.4
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

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