CID 69845357

Mephtetramine

Structural Information

Molecular Formula
C12H15NO
SMILES
CNCC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H15NO/c1-13-8-10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10,13H,6-8H2,1H3
InChIKey
FTRWLSZFQILOOD-UHFFFAOYSA-N
Compound name
2-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

89
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 139.7
[M+Na]+ 212.104588 146.5
[M-H]- 188.108094 143.9
[M+NH4]+ 207.149193 160.4
[M+K]+ 228.078528 143.4
[M+H-H2O]+ 172.112630 133.6
[M+HCOO]- 234.113571 161.8
[M+CH3COO]- 248.129221 186.7
[M+Na-2H]- 210.090036 146.6
[M]+ 189.11482142 137.4
[M]- 189.11591858 137.4
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.