CID 82100387

Clipredrone

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC(C)NC(C)C(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3
InChIKey
AZTFYJYLDIQSAG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(propan-2-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

225.09204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.3
[M+Na]+ 248.08126 156.8
[M-H]- 224.08476 153.7
[M+NH4]+ 243.12586 169.1
[M+K]+ 264.05520 153.4
[M+H-H2O]+ 208.08930 145.1
[M+HCOO]- 270.09024 167.8
[M+CH3COO]- 284.10589 193.9
[M+Na-2H]- 246.06671 152.3
[M]+ 225.09149 151.9
[M]- 225.09259 151.9
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.