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

69
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 152.7
[M+Na]+ 286.03558 159.0
[M-H]- 262.03908 152.4
[M+NH4]+ 281.08018 167.1
[M+K]+ 302.00952 156.3
[M+H-H2O]+ 246.04362 146.8
[M+HCOO]- 308.04456 167.2
[M+CH3COO]- 322.06021 187.6
[M+Na-2H]- 284.02103 155.7
[M]+ 263.04581 155.0
[M]- 263.04691 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.