CID 137944232

2287318-53-8

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1C2CC(C1CNC2)C(=O)O

InChI

InChI=1S/C8H13NO2/c10-8(11)7-2-5-1-6(7)4-9-3-5/h5-7,9H,1-4H2,(H,10,11)

InChIKey

YQOVXGBTMJWJPD-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.2.1]octane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: -2.2
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]+	156.10192	133.2
[M+Na]+	178.08386	141.3
[M+NH4]+	173.12846	141.4
[M+K]+	194.05780	138.6
[M-H]-	154.08736	131.9
[M+Na-2H]-	176.06931	133.8
[M]+	155.09409	133.5
[M]-	155.09519	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.