CID 438944

362495-17-8

Structural Information

Molecular Formula
C17H22ClNO2
SMILES
C1CCN2CCCC(C2C1)COC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H22ClNO2/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,1-5,10-12H2
InChIKey
YIYUGJLYGWSLLU-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1339 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14118 171.8
[M+Na]+ 330.12312 175.8
[M-H]- 306.12662 175.8
[M+NH4]+ 325.16772 186.4
[M+K]+ 346.09706 170.6
[M+H-H2O]+ 290.13116 163.3
[M+HCOO]- 352.13210 181.3
[M+CH3COO]- 366.14775 202.5
[M+Na-2H]- 328.10857 173.1
[M]+ 307.13335 168.2
[M]- 307.13445 168.2
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.