CID 12812523

2-chloro-n-(2,6-diethylphenyl)-n-methylacetamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCC1=C(C(=CC=C1)CC)N(C)C(=O)CCl
InChI
InChI=1S/C13H18ClNO/c1-4-10-7-6-8-11(5-2)13(10)15(3)12(16)9-14/h6-8H,4-5,9H2,1-3H3
InChIKey
COXKRNKDNQYHRO-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-diethylphenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

239.1077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.3
[M+Na]+ 262.09692 162.1
[M-H]- 238.10042 159.3
[M+NH4]+ 257.14152 173.7
[M+K]+ 278.07086 158.9
[M+H-H2O]+ 222.10496 148.7
[M+HCOO]- 284.10590 174.0
[M+CH3COO]- 298.12155 199.1
[M+Na-2H]- 260.08237 156.8
[M]+ 239.10715 159.1
[M]- 239.10825 159.1
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