CID 142486487

3-aminopyrrolidine-1-carbonitrile

Structural Information

Molecular Formula
C5H9N3
SMILES
C1CN(CC1N)C#N
InChI
InChI=1S/C5H9N3/c6-4-8-2-1-5(7)3-8/h5H,1-3,7H2
InChIKey
VASXPKVYBSLRAB-UHFFFAOYSA-N
Compound name
3-aminopyrrolidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

111.07965 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.8
[M+Na]+ 134.06887 129.6
[M-H]- 110.07237 122.1
[M+NH4]+ 129.11347 141.0
[M+K]+ 150.04281 128.1
[M+H-H2O]+ 94.076910 108.0
[M+HCOO]- 156.07785 139.9
[M+CH3COO]- 170.09350 182.7
[M+Na-2H]- 132.05432 125.3
[M]+ 111.07910 111.6
[M]- 111.08020 111.6
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