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]+ 200.16451 148.1
[M+Na]+ 222.14645 152.3
[M-H]- 198.14995 148.4
[M+NH4]+ 217.19105 169.7
[M+K]+ 238.12039 150.7
[M+H-H2O]+ 182.15449 141.9
[M+HCOO]- 244.15543 162.1
[M+CH3COO]- 258.17108 180.0
[M+Na-2H]- 220.13190 154.8
[M]+ 199.15668 142.5
[M]- 199.15778 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.