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
8
Annotation Hits

78
References

12092
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.0
[M+Na]+ 214.120228 149.4
[M-H]- 190.123734 148.5
[M+NH4]+ 209.164833 160.0
[M+K]+ 230.094168 148.1
[M+H-H2O]+ 174.128270 135.4
[M+HCOO]- 236.129211 161.8
[M+CH3COO]- 250.144861 183.9
[M+Na-2H]- 212.105676 148.6
[M]+ 191.13046142 140.4
[M]- 191.13155858 140.4
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