CID 146148716

2752764-65-9

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]+ 200.164506 148.1
[M+Na]+ 222.146448 152.3
[M-H]- 198.149954 148.4
[M+NH4]+ 217.191053 169.7
[M+K]+ 238.120388 150.7
[M+H-H2O]+ 182.154490 141.9
[M+HCOO]- 244.155431 162.1
[M+CH3COO]- 258.171081 180.0
[M+Na-2H]- 220.131896 154.8
[M]+ 199.15668142 142.5
[M]- 199.15777858 142.5
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.