CID 9294

Ephedrine

Structural Information

Molecular Formula
C10H15NO
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NC
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
InChIKey
KWGRBVOPPLSCSI-WPRPVWTQSA-N
Compound name
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

6534
References

114567
Patents

165.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 137.4
[M+Na]+ 188.104588 142.5
[M-H]- 164.108094 139.4
[M+NH4]+ 183.149193 156.8
[M+K]+ 204.078528 140.9
[M+H-H2O]+ 148.112630 131.5
[M+HCOO]- 210.113571 159.4
[M+CH3COO]- 224.129221 180.3
[M+Na-2H]- 186.090036 142.3
[M]+ 165.11482142 135.1
[M]- 165.11591858 135.1
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