CID 104433

53207-36-6

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)(CN(C)C)C(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H18ClNO/c1-13(2,9-15(3)4)12(16)10-5-7-11(14)8-6-10/h5-8H,9H2,1-4H3
InChIKey
PPLOMJPQAXICIE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-one
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 153.8
[M+Na]+ 262.09692 161.1
[M-H]- 238.10042 158.8
[M+NH4]+ 257.14152 173.0
[M+K]+ 278.07086 158.3
[M+H-H2O]+ 222.10496 148.6
[M+HCOO]- 284.10590 172.0
[M+CH3COO]- 298.12155 199.0
[M+Na-2H]- 260.08237 157.8
[M]+ 239.10715 157.9
[M]- 239.10825 157.9
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.