CID 164739

Levonordefrin

Structural Information

Molecular Formula
C9H13NO3
SMILES
C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N
InChI
InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1
InChIKey
GEFQWZLICWMTKF-CDUCUWFYSA-N
Compound name
4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

275
References

2196
Patents

183.08954 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.7
[M+Na]+ 206.07876 146.1
[M-H]- 182.08226 139.2
[M+NH4]+ 201.12336 157.1
[M+K]+ 222.05270 143.8
[M+H-H2O]+ 166.08680 134.4
[M+HCOO]- 228.08774 158.7
[M+CH3COO]- 242.10339 178.5
[M+Na-2H]- 204.06421 141.5
[M]+ 183.08899 135.9
[M]- 183.09009 135.9
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