CID 205422

17943-28-1

Structural Information

Molecular Formula
C13H23NO2
SMILES
CC(C)C(=O)OC1CCCN2C1CCCC2
InChI
InChI=1S/C13H23NO2/c1-10(2)13(15)16-12-7-5-9-14-8-4-3-6-11(12)14/h10-12H,3-9H2,1-2H3
InChIKey
AKINKDOLVIOTCB-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 154.6
[M+Na]+ 248.16210 157.1
[M-H]- 224.16560 155.7
[M+NH4]+ 243.20670 171.9
[M+K]+ 264.13604 155.8
[M+H-H2O]+ 208.17014 147.4
[M+HCOO]- 270.17108 167.6
[M+CH3COO]- 284.18673 190.7
[M+Na-2H]- 246.14755 155.7
[M]+ 225.17233 149.1
[M]- 225.17343 149.1
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.