CID 14855681

1-pyrrolidinebutanoic acid

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CCN(C1)CCCC(=O)O

InChI

InChI=1S/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)

InChIKey

NYSUFKYXLDNHQN-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 322
Patents: 157.11028 Da
Monoisotopic Mass: -1.7
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]+	158.117556	136.4
[M+Na]+	180.099498	141.5
[M-H]-	156.103004	136.4
[M+NH4]+	175.144103	156.7
[M+K]+	196.073438	140.5
[M+H-H2O]+	140.107540	130.2
[M+HCOO]-	202.108481	155.8
[M+CH3COO]-	216.124131	173.1
[M+Na-2H]-	178.084946	138.9
[M]+	157.10973142	133.8
[M]-	157.11082858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe