CID 7684

4'-methylacetanilide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
YICAMJWHIUMFDI-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

3092
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.0
[M+Na]+ 172.07328 143.4
[M+NH4]+ 167.11788 139.8
[M+K]+ 188.04722 137.1
[M-H]- 148.07678 133.8
[M+Na-2H]- 170.05873 138.4
[M]+ 149.08351 133.5
[M]- 149.08461 133.5
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