CID 3035453

Epinephrine sulfate

Structural Information

Molecular Formula
C9H13NO6S
SMILES
CNC[C@@H](C1=CC(=C(C=C1)OS(=O)(=O)O)O)O
InChI
InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKey
AELFRHHZGTVYGJ-QMMMGPOBSA-N
Compound name
[2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

99
Patents

263.04636 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05364 154.5
[M+Na]+ 286.03558 161.9
[M+NH4]+ 281.08018 158.9
[M+K]+ 302.00952 158.8
[M-H]- 262.03908 152.3
[M+Na-2H]- 284.02103 156.5
[M]+ 263.04581 154.9
[M]- 263.04691 154.9
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