CID 711578

Rac-(4ar,8ar)-decahydroisoquinolin-4a-ol hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC[C@]2(CCNC[C@H]2C1)O
InChI
InChI=1S/C9H17NO/c11-9-4-2-1-3-8(9)7-10-6-5-9/h8,10-11H,1-7H2/t8-,9-/m1/s1
InChIKey
JCCPJOSXNCXEPE-RKDXNWHRSA-N
Compound name
(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.6
[M+Na]+ 178.12023 140.4
[M-H]- 154.12373 135.5
[M+NH4]+ 173.16483 157.3
[M+K]+ 194.09417 137.5
[M+H-H2O]+ 138.12827 130.8
[M+HCOO]- 200.12921 149.6
[M+CH3COO]- 214.14486 146.9
[M+Na-2H]- 176.10568 142.8
[M]+ 155.13046 126.6
[M]- 155.13156 126.6
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.