CID 414532

4-methylcathinone

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)N
InChI
InChI=1S/C10H13NO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,11H2,1-2H3
InChIKey
OHULHWHSUJEYIT-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.5
[M+Na]+ 186.088938 142.3
[M-H]- 162.092444 138.9
[M+NH4]+ 181.133543 155.7
[M+K]+ 202.062878 140.7
[M+H-H2O]+ 146.096980 129.8
[M+HCOO]- 208.097921 158.6
[M+CH3COO]- 222.113571 182.5
[M+Na-2H]- 184.074386 139.2
[M]+ 163.09917142 133.8
[M]- 163.10026858 133.8
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