CID 711578

1955474-52-8

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

12
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 136.9
[M+Na]+ 178.12023 146.6
[M+NH4]+ 173.16483 147.5
[M+K]+ 194.09417 138.5
[M-H]- 154.12373 138.2
[M+Na-2H]- 176.10568 141.9
[M]+ 155.13046 138.5
[M]- 155.13156 138.5
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.