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]+ 212.164506 150.6
[M+Na]+ 234.146448 153.4
[M-H]- 210.149954 150.4
[M+NH4]+ 229.191053 167.8
[M+K]+ 250.120388 150.9
[M+H-H2O]+ 194.154490 143.7
[M+HCOO]- 256.155431 163.4
[M+CH3COO]- 270.171081 184.2
[M+Na-2H]- 232.131896 152.9
[M]+ 211.15668142 143.5
[M]- 211.15777858 143.5
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.