CID 73737

Pyrrolidine-1-carbonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
C1CCN(C1)C#N
InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChIKey
QJRYYOWARFCJQZ-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1512
Patents

96.06875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 116.2
[M+Na]+ 119.057968 125.2
[M-H]- 95.061474 117.7
[M+NH4]+ 114.102573 137.3
[M+K]+ 135.031908 123.7
[M+H-H2O]+ 79.066010 103.5
[M+HCOO]- 141.066951 135.0
[M+CH3COO]- 155.082601 178.1
[M+Na-2H]- 117.043416 122.2
[M]+ 96.06820142 108.3
[M]- 96.06929858 108.3
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