CID 13448656

Rac-(4ar,8as)-decahydroisoquinolin-5-one hydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CC2CNCCC2C(=O)C1
InChI
InChI=1S/C9H15NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h7-8,10H,1-6H2
InChIKey
CTAKIRYITJOZPG-UHFFFAOYSA-N
Compound name
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 133.6
[M+Na]+ 176.104588 138.0
[M-H]- 152.108094 134.0
[M+NH4]+ 171.149193 153.3
[M+K]+ 192.078528 135.3
[M+H-H2O]+ 136.112630 127.3
[M+HCOO]- 198.113571 148.3
[M+CH3COO]- 212.129221 172.9
[M+Na-2H]- 174.090036 138.7
[M]+ 153.11482142 124.8
[M]- 153.11591858 124.8
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