CID 40089

(r)-(-)-n-methylsalsoline hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
C[C@@H]1C2=CC(=C(C=C2CCN1C)O)OC
InChI
InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m1/s1
InChIKey
BQWXVEGUQMSXOH-MRVPVSSYSA-N
Compound name
(1R)-7-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.9
[M+Na]+ 230.11515 154.6
[M-H]- 206.11865 148.0
[M+NH4]+ 225.15975 164.7
[M+K]+ 246.08909 151.7
[M+H-H2O]+ 190.12319 139.6
[M+HCOO]- 252.12413 164.0
[M+CH3COO]- 266.13978 187.3
[M+Na-2H]- 228.10060 150.5
[M]+ 207.12538 145.9
[M]- 207.12648 145.9
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.