CID 16616

N-(2,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C
InChI
InChI=1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey
NRPTXWYBRKRZES-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

357
Patents

163.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.1
[M+Na]+ 186.08894 142.2
[M-H]- 162.09244 138.4
[M+NH4]+ 181.13354 155.1
[M+K]+ 202.06288 140.5
[M+H-H2O]+ 146.09698 128.6
[M+HCOO]- 208.09792 158.8
[M+CH3COO]- 222.11357 182.7
[M+Na-2H]- 184.07439 139.5
[M]+ 163.09917 134.4
[M]- 163.10027 134.4
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

patents stripe