CID 9533917

2-chloro-n-[(4-methylphenyl)methyl]-n-propylacetamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCCN(CC1=CC=C(C=C1)C)C(=O)CCl
InChI
InChI=1S/C13H18ClNO/c1-3-8-15(13(16)9-14)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKey
GPHLNJCBIUGVPE-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-methylphenyl)methyl]-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 155.1
[M+Na]+ 262.09692 161.9
[M-H]- 238.10042 159.7
[M+NH4]+ 257.14152 174.2
[M+K]+ 278.07086 158.7
[M+H-H2O]+ 222.10496 149.2
[M+HCOO]- 284.10590 174.8
[M+CH3COO]- 298.12155 197.9
[M+Na-2H]- 260.08237 158.2
[M]+ 239.10715 159.5
[M]- 239.10825 159.5
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

No patent data available for this compound.