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

53
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.2
[M+Na]+ 234.065608 153.2
[M-H]- 210.069114 149.3
[M+NH4]+ 229.110213 165.3
[M+K]+ 250.039548 149.7
[M+H-H2O]+ 194.073650 141.3
[M+HCOO]- 256.074591 163.5
[M+CH3COO]- 270.090241 190.2
[M+Na-2H]- 232.051056 147.7
[M]+ 211.07584142 146.4
[M]- 211.07693858 146.4
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