CID 30487

Phendimetrazine

Structural Information

Molecular Formula
C12H17NO
SMILES
C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKey
MFOCDFTXLCYLKU-CMPLNLGQSA-N
Compound name
(2S,3S)-3,4-dimethyl-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

78
References

11406
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.3
[M+Na]+ 214.12023 157.5
[M+NH4]+ 209.16483 152.7
[M+K]+ 230.09417 150.2
[M-H]- 190.12373 149.1
[M+Na-2H]- 212.10568 151.1
[M]+ 191.13046 147.1
[M]- 191.13156 147.1
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