CID 4550832

3-chloro-n-(2,6-dimethylphenyl)propanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCCl
InChI
InChI=1S/C11H14ClNO/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
VOTVVKNPQNCBKS-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

211.07639 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 145.3
[M+Na]+ 234.06561 158.4
[M+NH4]+ 229.11021 154.0
[M+K]+ 250.03955 151.0
[M-H]- 210.06911 148.0
[M+Na-2H]- 232.05106 152.0
[M]+ 211.07584 148.2
[M]- 211.07694 148.2
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