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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.081176	135.7
[M+Na]+	192.063118	142.4
[M-H]-	168.066624	134.2
[M+NH4]+	187.107723	158.5
[M+K]+	208.037058	139.8
[M+H-H2O]+	152.071160	131.4
[M+HCOO]-	214.072101	150.8
[M+CH3COO]-	228.087751	171.9
[M+Na-2H]-	190.048566	140.5
[M]+	169.07335142	130.8
[M]-	169.07444858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.