CID 12989303

(r)-n-methylsalsolinol

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C[C@@H]1C2=CC(=C(C=C2CCN1C)O)O

InChI

InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m1/s1

InChIKey

RKMGOUZXGHZLBJ-SSDOTTSWSA-N

Compound name

(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 60
References: 67
Patents: 193.11028 Da
Monoisotopic Mass: 1.5
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]+	194.11756	141.7
[M+Na]+	216.09950	154.7
[M+NH4]+	211.14410	150.2
[M+K]+	232.07344	148.6
[M-H]-	192.10300	143.2
[M+Na-2H]-	214.08495	146.2
[M]+	193.10973	143.9
[M]-	193.11083	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe