CID 47003582

1240526-59-3

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2CNCC1C2C(=O)O

InChI

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

InChIKey

JRALIEYOLZNWNV-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.2.1]octane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	156.101916	133.8
[M+Na]+	178.083858	139.3
[M-H]-	154.087364	132.0
[M+NH4]+	173.128463	155.3
[M+K]+	194.057798	136.8
[M+H-H2O]+	138.091900	128.9
[M+HCOO]-	200.092841	148.6
[M+CH3COO]-	214.108491	171.0
[M+Na-2H]-	176.069306	137.4
[M]+	155.09409142	127.8
[M]-	155.09518858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe