CID 3291802

N-(2,5-dimethylphenyl)-2,2-dimethylpropanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.14667 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe