CID 59814884

2377032-83-0

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2(C1)CC(C2)(C(=O)O)N

InChI

InChI=1S/C8H13NO2/c9-8(6(10)11)4-7(5-8)2-1-3-7/h1-5,9H2,(H,10,11)

InChIKey

JGPDMXRVYWPLNA-UHFFFAOYSA-N

Compound name

2-aminospiro[3.3]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	134.7
[M+Na]+	178.08386	138.2
[M-H]-	154.08736	138.6
[M+NH4]+	173.12846	144.5
[M+K]+	194.05780	142.4
[M+H-H2O]+	138.09190	122.5
[M+HCOO]-	200.09284	151.4
[M+CH3COO]-	214.10849	187.8
[M+Na-2H]-	176.06931	139.4
[M]+	155.09409	146.8
[M]-	155.09519	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe