CID 204779

16899-89-1

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 158.8
[M+Na]+ 262.17774 167.6
[M+NH4]+ 257.22234 166.8
[M+K]+ 278.15168 161.8
[M-H]- 238.18124 159.8
[M+Na-2H]- 260.16319 160.8
[M]+ 239.18797 160.0
[M]- 239.18907 160.0
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.