CID 18794194

2-(4-tert-butyl-2,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC(=CC(=C1CC(=O)N)C)C(C)(C)C
InChI
InChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)
InChIKey
LAYONLPJVOPBIW-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 151.9
[M+Na]+ 242.151528 159.8
[M-H]- 218.155034 155.7
[M+NH4]+ 237.196133 170.9
[M+K]+ 258.125468 157.2
[M+H-H2O]+ 202.159570 146.6
[M+HCOO]- 264.160511 173.1
[M+CH3COO]- 278.176161 195.8
[M+Na-2H]- 240.136976 154.2
[M]+ 219.16176142 152.6
[M]- 219.16285858 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe