CID 52407

N-benzyl-2-chloro-2-ethylbutyramide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCC(CC)(C(=O)NCC1=CC=CC=C1)Cl
InChI
InChI=1S/C13H18ClNO/c1-3-13(14,4-2)12(16)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16)
InChIKey
JJAUOVZZMAXMAF-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 155.9
[M+Na]+ 262.09692 167.5
[M+NH4]+ 257.14152 164.0
[M+K]+ 278.07086 160.4
[M-H]- 238.10042 157.8
[M+Na-2H]- 260.08237 162.3
[M]+ 239.10715 158.3
[M]- 239.10825 158.3
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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No literature data available for this compound.

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No patent data available for this compound.