CID 1237

Normetanephrine

Structural Information

Molecular Formula
C9H13NO3
SMILES
COC1=C(C=CC(=C1)C(CN)O)O
InChI
InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
InChIKey
YNYAYWLBAHXHLL-UHFFFAOYSA-N
Compound name
4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1533
References

1795
Patents

183.08954 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 138.7
[M+Na]+ 206.07876 145.8
[M-H]- 182.08226 139.6
[M+NH4]+ 201.12336 156.9
[M+K]+ 222.05270 143.8
[M+H-H2O]+ 166.08680 133.1
[M+HCOO]- 228.08774 160.3
[M+CH3COO]- 242.10339 179.9
[M+Na-2H]- 204.06421 142.4
[M]+ 183.08899 137.5
[M]- 183.09009 137.5
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.