CID 10844621

165456-23-5

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2(CCCN2C1)C(=O)O

InChI

InChI=1S/C8H13NO2/c10-7(11)8-3-1-5-9(8)6-2-4-8/h1-6H2,(H,10,11)

InChIKey

UXHYWADURMRPON-UHFFFAOYSA-N

Compound name

1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 155.09464 Da
Monoisotopic Mass: -1.6
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	135.4
[M+Na]+	178.083858	141.8
[M-H]-	154.087364	136.8
[M+NH4]+	173.128463	160.4
[M+K]+	194.057798	140.5
[M+H-H2O]+	138.091900	130.6
[M+HCOO]-	200.092841	154.1
[M+CH3COO]-	214.108491	170.9
[M+Na-2H]-	176.069306	138.6
[M]+	155.09409142	131.3
[M]-	155.09518858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe