CID 28972306

5-(pyrrolidin-1-yl)pentanoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CCN(C1)CCCCC(=O)O

InChI

InChI=1S/C9H17NO2/c11-9(12)5-1-2-6-10-7-3-4-8-10/h1-8H2,(H,11,12)

InChIKey

ZPHNBDPZXBQXSI-UHFFFAOYSA-N

Compound name

5-pyrrolidin-1-ylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 171.12593 Da
Monoisotopic Mass: -1.3
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]+	172.133206	141.0
[M+Na]+	194.115148	145.7
[M-H]-	170.118654	140.8
[M+NH4]+	189.159753	160.7
[M+K]+	210.089088	144.4
[M+H-H2O]+	154.123190	134.6
[M+HCOO]-	216.124131	160.1
[M+CH3COO]-	230.139781	176.1
[M+Na-2H]-	192.100596	143.0
[M]+	171.12538142	138.8
[M]-	171.12647858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe