CID 44721397

2309473-90-1

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2CC1CN2CC(=O)O

InChI

InChI=1S/C8H13NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h6-7H,1-5H2,(H,10,11)

InChIKey

UUDNITWWYBIYOX-UHFFFAOYSA-N

Compound name

2-(2-azabicyclo[2.2.1]heptan-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 155.09464 Da
Monoisotopic Mass: -1.5
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]+	156.10192	135.2
[M+Na]+	178.08386	141.9
[M-H]-	154.08736	135.2
[M+NH4]+	173.12846	159.2
[M+K]+	194.05780	140.5
[M+H-H2O]+	138.09190	130.4
[M+HCOO]-	200.09284	153.6
[M+CH3COO]-	214.10849	173.7
[M+Na-2H]-	176.06931	137.6
[M]+	155.09409	133.2
[M]-	155.09519	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe