CID 146148716

2418594-65-5

Structural Information

Molecular Formula
C11H21NO2
SMILES
CO[C@]12CCCC[C@]1(CNCC2)OC
InChI
InChI=1S/C11H21NO2/c1-13-10-5-3-4-6-11(10,14-2)9-12-8-7-10/h12H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKey
LRTVQGZFCVLMLH-WDEREUQCSA-N
Compound name
(4aS,8aR)-4a,8a-dimethoxy-1,2,3,4,5,6,7,8-octahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 148.8
[M+Na]+ 222.14645 158.2
[M+NH4]+ 217.19105 160.3
[M+K]+ 238.12039 148.3
[M-H]- 198.14995 150.0
[M+Na-2H]- 220.13190 155.0
[M]+ 199.15668 150.6
[M]- 199.15778 150.6
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.