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

1721
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

literature stripe

Patent stripe

patents stripe