CID 20319365

2-chloro-n-methyl-n-(3-methylphenyl)acetamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CC1=CC(=CC=C1)N(C)C(=O)CCl
InChI
InChI=1S/C10H12ClNO/c1-8-4-3-5-9(6-8)12(2)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey
TULDOFRVCWOVGT-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.7
[M+Na]+ 220.04997 153.9
[M+NH4]+ 215.09457 149.8
[M+K]+ 236.02391 147.0
[M-H]- 196.05347 143.8
[M+Na-2H]- 218.03542 148.1
[M]+ 197.06020 143.7
[M]- 197.06130 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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