CID 43794736

4-chlorodimethylcathinone

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)N(C)C
InChI
InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-4-6-10(12)7-5-9/h4-8H,1-3H3
InChIKey
XMBDJBGDUKIOFM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 145.0
[M+Na]+ 234.06561 152.4
[M-H]- 210.06911 150.0
[M+NH4]+ 229.11021 165.1
[M+K]+ 250.03955 150.1
[M+H-H2O]+ 194.07365 139.7
[M+HCOO]- 256.07459 164.4
[M+CH3COO]- 270.09024 193.5
[M+Na-2H]- 232.05106 148.1
[M]+ 211.07584 148.2
[M]- 211.07694 148.2
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.