CID 56603536

2-methylmethcathinone

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=CC=CC=C1C(=O)C(C)NC
InChI
InChI=1S/C11H15NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
InChIKey
PRGXFAWAMOFULD-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-(2-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

177.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.5
[M+Na]+ 200.104588 145.9
[M-H]- 176.108094 143.2
[M+NH4]+ 195.149193 159.4
[M+K]+ 216.078528 144.4
[M+H-H2O]+ 160.112630 133.5
[M+HCOO]- 222.113571 162.9
[M+CH3COO]- 236.129221 186.2
[M+Na-2H]- 198.090036 143.7
[M]+ 177.11482142 139.2
[M]- 177.11591858 139.2
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.