CID 31268

Pyrrolidine

Structural Information

Molecular Formula
C4H9N
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
8
Annotation Hits

1903
References

179829
Patents

71.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 113.2
[M+Na]+ 94.062718 119.1
[M-H]- 70.066224 113.4
[M+NH4]+ 89.107323 136.8
[M+K]+ 110.03666 118.5
[M+H-H2O]+ 54.070760 107.6
[M+HCOO]- 116.07170 134.3
[M+CH3COO]- 130.08735 156.1
[M+Na-2H]- 92.048166 119.8
[M]+ 71.072951 107.2
[M]- 71.074049 107.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe