CID 203060

Norephedrine, 3,4-dihydroxy-n-isopropyl-

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)NC(C)C(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C12H19NO3/c1-7(2)13-8(3)12(16)9-4-5-10(14)11(15)6-9/h4-8,12-16H,1-3H3

InChIKey

SMKOBMKGVFWFCM-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.13649 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.143766	153.0
[M+Na]+	248.125708	157.8
[M-H]-	224.129214	152.6
[M+NH4]+	243.170313	168.9
[M+K]+	264.099648	155.8
[M+H-H2O]+	208.133750	147.3
[M+HCOO]-	270.134691	170.6
[M+CH3COO]-	284.150341	189.1
[M+Na-2H]-	246.111156	153.0
[M]+	225.13594142	150.7
[M]-	225.13703858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.