CID 13512620

5-aminopentanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
C(CCN)CC#N
InChI
InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-4,6H2
InChIKey
JJUPHRIAFLAURY-UHFFFAOYSA-N
Compound name
5-aminopentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

98.0844 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 121.8
[M+Na]+ 121.07362 131.3
[M+NH4]+ 116.11822 126.7
[M+K]+ 137.04756 122.7
[M-H]- 97.077124 115.2
[M+Na-2H]- 119.05907 123.9
[M]+ 98.083851 120.2
[M]- 98.084949 120.2
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