CID 138040868

2247106-43-8

Structural Information

Molecular Formula
C12H21NO2
SMILES
COC(=O)CC1CCC2CNCCC2C1
InChI
InChI=1S/C12H21NO2/c1-15-12(14)7-9-2-3-11-8-13-5-4-10(11)6-9/h9-11,13H,2-8H2,1H3
InChIKey
IRBTUUJBMFJTNG-UHFFFAOYSA-N
Compound name
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 150.7
[M+Na]+ 234.14645 159.7
[M+NH4]+ 229.19105 158.7
[M+K]+ 250.12039 153.8
[M-H]- 210.14995 151.4
[M+Na-2H]- 232.13190 152.9
[M]+ 211.15668 151.8
[M]- 211.15778 151.8
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

No patent data available for this compound.