CID 785468

2,2,3',4'-tetramethylpropionanilide

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=C(C=C(C=C1)NC(=O)C(C)(C)C)C
InChI
InChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12(15)13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChIKey
JGIPPLZKJLOOEL-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

205.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.6
[M+Na]+ 228.13589 155.0
[M-H]- 204.13939 151.7
[M+NH4]+ 223.18049 167.1
[M+K]+ 244.10983 153.0
[M+H-H2O]+ 188.14393 142.2
[M+HCOO]- 250.14487 169.8
[M+CH3COO]- 264.16052 191.5
[M+Na-2H]- 226.12134 152.1
[M]+ 205.14612 148.5
[M]- 205.14722 148.5
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