CID 12450869

69491-42-5

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CN2CCN1CC2C(=O)O

InChI

InChI=1S/C7H12N2O2/c10-7(11)6-5-8-1-3-9(6)4-2-8/h6H,1-5H2,(H,10,11)

InChIKey

IUCABINPROMHPV-UHFFFAOYSA-N

Compound name

1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 156.08987 Da
Monoisotopic Mass: -2.8
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]+	157.09715	129.6
[M+Na]+	179.07909	138.7
[M+NH4]+	174.12369	138.9
[M+K]+	195.05303	133.6
[M-H]-	155.08259	125.6
[M+Na-2H]-	177.06454	126.8
[M]+	156.08932	129.4
[M]-	156.09042	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe