CID 7172

Synephrine

Structural Information

Molecular Formula
C9H13NO2
SMILES
CNCC(C1=CC=C(C=C1)O)O
InChI
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKey
YRCWQPVGYLYSOX-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(methylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

513
References

5534
Patents

167.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.6
[M+Na]+ 190.08386 146.3
[M+NH4]+ 185.12846 143.3
[M+K]+ 206.05780 141.2
[M-H]- 166.08736 137.0
[M+Na-2H]- 188.06931 141.3
[M]+ 167.09409 137.2
[M]- 167.09519 137.2
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