CID 10171288

2-aminopentanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CCCC(C#N)N
InChI
InChI=1S/C5H10N2/c1-2-3-5(7)4-6/h5H,2-3,7H2,1H3
InChIKey
RPMBPYXLPIWSFJ-UHFFFAOYSA-N
Compound name
2-aminopentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

153
Patents

98.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 120.5
[M+Na]+ 121.07362 128.8
[M-H]- 97.077124 121.0
[M+NH4]+ 116.11822 141.1
[M+K]+ 137.04756 128.7
[M+H-H2O]+ 81.081660 109.4
[M+HCOO]- 143.08260 140.5
[M+CH3COO]- 157.09825 183.7
[M+Na-2H]- 119.05907 125.9
[M]+ 98.083851 114.1
[M]- 98.084949 114.1
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