CID 20607

5-hydroxy-2-ethyl-decahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C11H21NO
SMILES
CCN1CCC2C(C1)CCCC2O
InChI
InChI=1S/C11H21NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h9-11,13H,2-8H2,1H3
InChIKey
SIIVDVCPUJLGRR-UHFFFAOYSA-N
Compound name
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 144.0
[M+Na]+ 206.15153 148.2
[M-H]- 182.15503 144.3
[M+NH4]+ 201.19613 162.9
[M+K]+ 222.12547 145.5
[M+H-H2O]+ 166.15957 137.5
[M+HCOO]- 228.16051 157.8
[M+CH3COO]- 242.17616 180.9
[M+Na-2H]- 204.13698 147.3
[M]+ 183.16176 136.9
[M]- 183.16286 136.9
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

patents stripe