CID 22181493

Pyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
C1CNCC1C#N
InChI
InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2
InChIKey
DATJETPTDKFEEF-UHFFFAOYSA-N
Compound name
pyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1402
Patents

96.06875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 117.8
[M+Na]+ 119.05797 126.5
[M-H]- 95.061474 118.2
[M+NH4]+ 114.10257 138.3
[M+K]+ 135.03191 124.2
[M+H-H2O]+ 79.066010 105.4
[M+HCOO]- 141.06695 135.3
[M+CH3COO]- 155.08260 175.6
[M+Na-2H]- 117.04342 123.3
[M]+ 96.068201 108.2
[M]- 96.069299 108.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe