CID 379669

Nsc664547

Structural Information

Molecular Formula
C10H15NO3
SMILES
C1CN2CCC1C(=O)C2CCC(=O)O
InChI
InChI=1S/C10H15NO3/c12-9(13)2-1-8-10(14)7-3-5-11(8)6-4-7/h7-8H,1-6H2,(H,12,13)
InChIKey
JMELQOORLUXDCU-UHFFFAOYSA-N
Compound name
3-(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 142.8
[M+Na]+ 220.09442 147.0
[M-H]- 196.09792 136.7
[M+NH4]+ 215.13902 164.5
[M+K]+ 236.06836 145.0
[M+H-H2O]+ 180.10246 138.2
[M+HCOO]- 242.10340 151.6
[M+CH3COO]- 256.11905 187.4
[M+Na-2H]- 218.07987 151.7
[M]+ 197.10465 143.8
[M]- 197.10575 143.8
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.