CID 91696119

3-methylethcathinone

Structural Information

Molecular Formula
C12H17NO
SMILES
CCNC(C)C(=O)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-6-9(2)8-11/h5-8,10,13H,4H2,1-3H3
InChIKey
GEKLDGQKEZAPFZ-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1-(3-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.2
[M+Na]+ 214.120228 150.2
[M-H]- 190.123734 147.7
[M+NH4]+ 209.164833 163.6
[M+K]+ 230.094168 148.4
[M+H-H2O]+ 174.128270 138.0
[M+HCOO]- 236.129211 167.2
[M+CH3COO]- 250.144861 189.2
[M+Na-2H]- 212.105676 147.9
[M]+ 191.13046142 144.3
[M]- 191.13155858 144.3
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.