CID 3042045

2-methyl-2,3,4,7,8,9-hexahydro-1h-cyclopent(h)isoquinoline-5,6-diol hydrobromide

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN1CCC2=C(C1)C3=C(CCC3)C(=C2O)O
InChI
InChI=1S/C13H17NO2/c1-14-6-5-10-11(7-14)8-3-2-4-9(8)12(15)13(10)16/h15-16H,2-7H2,1H3
InChIKey
KZNJARARCAJVIN-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.7
[M+Na]+ 242.11515 160.2
[M+NH4]+ 237.15975 157.8
[M+K]+ 258.08909 155.8
[M-H]- 218.11865 150.2
[M+Na-2H]- 240.10060 151.3
[M]+ 219.12538 150.6
[M]- 219.12648 150.6
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.