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]+ 112.086926 120.8
[M+Na]+ 134.068868 129.6
[M-H]- 110.072374 122.1
[M+NH4]+ 129.113473 141.0
[M+K]+ 150.042808 128.1
[M+H-H2O]+ 94.076910 108.0
[M+HCOO]- 156.077851 139.9
[M+CH3COO]- 170.093501 182.7
[M+Na-2H]- 132.054316 125.3
[M]+ 111.07910142 111.6
[M]- 111.08019858 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