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

3
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.6
[M+Na]+ 176.10459 138.0
[M-H]- 152.10809 134.0
[M+NH4]+ 171.14919 153.3
[M+K]+ 192.07853 135.3
[M+H-H2O]+ 136.11263 127.3
[M+HCOO]- 198.11357 148.3
[M+CH3COO]- 212.12922 172.9
[M+Na-2H]- 174.09004 138.7
[M]+ 153.11482 124.8
[M]- 153.11592 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