CID 4525391

N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1=C(C=C(C=C1)NC(=O)C(C)(C)C)Cl
InChI
InChI=1S/C12H16ClNO/c1-8-5-6-9(7-10(8)13)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey
MGCIZHQKQMWQGC-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.09204 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.9
[M+Na]+ 248.08126 163.5
[M+NH4]+ 243.12586 159.2
[M+K]+ 264.05520 157.0
[M-H]- 224.08476 153.0
[M+Na-2H]- 246.06671 157.1
[M]+ 225.09149 153.6
[M]- 225.09259 153.6
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