CID 122163260

2-[(benzyloxy)carbonyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid

Structural Information

Molecular Formula
C16H19NO4
SMILES
C1CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H19NO4/c18-15(19)13-8-12-6-7-14(13)17(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,18,19)
InChIKey
MOMXYXDBGADMFD-UHFFFAOYSA-N
Compound name
2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 163.6
[M+Na]+ 312.12062 165.8
[M-H]- 288.12412 160.1
[M+NH4]+ 307.16522 180.9
[M+K]+ 328.09456 163.4
[M+H-H2O]+ 272.12866 156.8
[M+HCOO]- 334.12960 171.0
[M+CH3COO]- 348.14525 171.4
[M+Na-2H]- 310.10607 170.9
[M]+ 289.13085 164.7
[M]- 289.13195 164.7
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.