CID 751498

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-/m0/s1
InChIKey
JCCPJOSXNCXEPE-IUCAKERBSA-N
Compound name
(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.6
[M+Na]+ 178.120228 140.4
[M-H]- 154.123734 135.5
[M+NH4]+ 173.164833 157.3
[M+K]+ 194.094168 137.5
[M+H-H2O]+ 138.128270 130.8
[M+HCOO]- 200.129211 149.6
[M+CH3COO]- 214.144861 146.9
[M+Na-2H]- 176.105676 142.8
[M]+ 155.13046142 126.6
[M]- 155.13155858 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.