CID 12898176

2-(4-chlorophenyl)-3-methylbutanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C11H14ClNO/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H2,13,14)
InChIKey
QZVCKPXVTOPHBV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.0
[M+Na]+ 234.06561 157.7
[M+NH4]+ 229.11021 154.3
[M+K]+ 250.03955 152.0
[M-H]- 210.06911 148.1
[M+Na-2H]- 232.05106 151.7
[M]+ 211.07584 148.4
[M]- 211.07694 148.4
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