CID 36334

N-(2,6-dimethylphenyl)-2-methylpropanamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C)C
InChI
InChI=1S/C12H17NO/c1-8(2)12(14)13-11-9(3)6-5-7-10(11)4/h5-8H,1-4H3,(H,13,14)
InChIKey
IIRBAAZJVBNVAJ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.6
[M+Na]+ 214.12023 150.6
[M-H]- 190.12373 147.6
[M+NH4]+ 209.16483 163.4
[M+K]+ 230.09417 148.9
[M+H-H2O]+ 174.12827 137.8
[M+HCOO]- 236.12921 166.7
[M+CH3COO]- 250.14486 189.7
[M+Na-2H]- 212.10568 146.6
[M]+ 191.13046 144.0
[M]- 191.13156 144.0
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