CID 165750926

2803862-88-4

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC2(CC1C(=O)NC2)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-6-5-1-2-8(3-5,4-9-6)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
WJNXPFKWKJAQSM-UHFFFAOYSA-N
Compound name
4-oxo-3-azabicyclo[3.2.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 135.7
[M+Na]+ 192.06312 142.4
[M-H]- 168.06662 134.2
[M+NH4]+ 187.10772 158.5
[M+K]+ 208.03706 139.8
[M+H-H2O]+ 152.07116 131.4
[M+HCOO]- 214.07210 150.8
[M+CH3COO]- 228.08775 171.9
[M+Na-2H]- 190.04857 140.5
[M]+ 169.07335 130.8
[M]- 169.07445 130.8
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.