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 149.1
[M+Na]+ 242.11515 157.2
[M-H]- 218.11865 150.5
[M+NH4]+ 237.15975 169.4
[M+K]+ 258.08909 152.6
[M+H-H2O]+ 202.12319 143.5
[M+HCOO]- 264.12413 164.5
[M+CH3COO]- 278.13978 160.7
[M+Na-2H]- 240.10060 152.0
[M]+ 219.12538 145.7
[M]- 219.12648 145.7
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.