CID 12989303

53622-84-7

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

62
References

102
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.0
[M+Na]+ 216.099498 150.8
[M-H]- 192.103004 142.9
[M+NH4]+ 211.144103 160.7
[M+K]+ 232.073438 147.2
[M+H-H2O]+ 176.107540 136.3
[M+HCOO]- 238.108481 158.9
[M+CH3COO]- 252.124131 181.8
[M+Na-2H]- 214.084946 146.6
[M]+ 193.10973142 139.8
[M]- 193.11082858 139.8
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