CID 546358

N-(3-methoxyphenyl)pivalamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)C(=O)NC1=CC(=CC=C1)OC
InChI
InChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKey
DAFHCFQPQMYDFI-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

201
Patents

207.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 153.9
[M-H]- 206.11865 150.9
[M+NH4]+ 225.15975 166.1
[M+K]+ 246.08909 152.6
[M+H-H2O]+ 190.12319 141.3
[M+HCOO]- 252.12413 169.8
[M+CH3COO]- 266.13978 189.4
[M+Na-2H]- 228.10060 152.8
[M]+ 207.12538 148.6
[M]- 207.12648 148.6
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