CID 487613

1-ethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCC1C2=CC(=C(C=C2CCN1)O)O
InChI
InChI=1S/C11H15NO2/c1-2-9-8-6-11(14)10(13)5-7(8)3-4-12-9/h5-6,9,12-14H,2-4H2,1H3
InChIKey
MDBBKLHRLDIGIP-UHFFFAOYSA-N
Compound name
1-ethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.6
[M+Na]+ 216.09950 150.1
[M-H]- 192.10300 141.8
[M+NH4]+ 211.14410 160.3
[M+K]+ 232.07344 145.6
[M+H-H2O]+ 176.10754 136.9
[M+HCOO]- 238.10848 158.1
[M+CH3COO]- 252.12413 178.1
[M+Na-2H]- 214.08495 147.5
[M]+ 193.10973 138.2
[M]- 193.11083 138.2
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