CID 31268

Pyrrolidine

Structural Information

Molecular Formula

SMILES

C1CCNC1

InChI

InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

InChIKey

RWRDLPDLKQPQOW-UHFFFAOYSA-N

Compound name

pyrrolidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1899
References: 89590
Patents: 71.0735 Da
Monoisotopic Mass: 0.5
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]+	72.080776	113.4
[M+Na]+	94.062718	123.4
[M+NH4]+	89.107323	122.8
[M+K]+	110.03666	119.3
[M-H]-	70.066224	114.3
[M+Na-2H]-	92.048166	118.9
[M]+	71.072951	114.8
[M]-	71.074049	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe