CID 204779

Dtxsid30937572

Structural Information

Molecular Formula
C14H25NO2
SMILES
CCC(C)C(=O)OC1CCCN2C1CCCC2
InChI
InChI=1S/C14H25NO2/c1-3-11(2)14(16)17-13-8-6-10-15-9-5-4-7-12(13)15/h11-13H,3-10H2,1-2H3
InChIKey
VWDPBZTZGXXQHK-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.18852 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19580 159.2
[M+Na]+ 262.17774 161.3
[M-H]- 238.18124 160.1
[M+NH4]+ 257.22234 176.0
[M+K]+ 278.15168 159.7
[M+H-H2O]+ 222.18578 151.8
[M+HCOO]- 284.18672 171.9
[M+CH3COO]- 298.20237 193.7
[M+Na-2H]- 260.16319 159.7
[M]+ 239.18797 154.1
[M]- 239.18907 154.1
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.