CID 217381

38734-38-2

Structural Information

Molecular Formula
C17H24N2O2
SMILES
C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H24N2O2/c18-15-8-6-13(7-9-15)17(20)21-12-14-4-3-11-19-10-2-1-5-16(14)19/h6-9,14,16H,1-5,10-12,18H2/t14-,16+/m0/s1
InChIKey
SOGHCSKBULRSRK-GOEBONIOSA-N
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.191056 168.7
[M+Na]+ 311.172998 171.1
[M-H]- 287.176504 172.4
[M+NH4]+ 306.217603 182.7
[M+K]+ 327.146938 167.3
[M+H-H2O]+ 271.181040 159.6
[M+HCOO]- 333.181981 183.2
[M+CH3COO]- 347.197631 203.3
[M+Na-2H]- 309.158446 170.2
[M]+ 288.18323142 161.4
[M]- 288.18432858 161.4
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.