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
9
Annotation Hits

517
References

6445
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 135.5
[M+Na]+ 190.08386 141.8
[M-H]- 166.08736 136.6
[M+NH4]+ 185.12846 154.5
[M+K]+ 206.05780 139.5
[M+H-H2O]+ 150.09190 130.0
[M+HCOO]- 212.09284 157.5
[M+CH3COO]- 226.10849 177.1
[M+Na-2H]- 188.06931 141.0
[M]+ 167.09409 133.5
[M]- 167.09519 133.5
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