CID 39871623

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

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1C(CC12CC(C2)N)C(=O)O

InChI

InChI=1S/C8H13NO2/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6H,1-4,9H2,(H,10,11)

InChIKey

OJFMDXUWUKVTNA-UHFFFAOYSA-N

Compound name

2-aminospiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 155.09464 Da
Monoisotopic Mass: -2.3
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	131.6
[M+Na]+	178.083858	134.9
[M-H]-	154.087364	135.3
[M+NH4]+	173.128463	139.9
[M+K]+	194.057798	139.4
[M+H-H2O]+	138.091900	118.1
[M+HCOO]-	200.092841	148.4
[M+CH3COO]-	214.108491	189.0
[M+Na-2H]-	176.069306	134.9
[M]+	155.09409142	143.7
[M]-	155.09518858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe