CID 13492441

2-aminopentanedinitrile hydrochloride

Structural Information

Molecular Formula
C5H7N3
SMILES
C(CC(C#N)N)C#N
InChI
InChI=1S/C5H7N3/c6-3-1-2-5(8)4-7/h5H,1-2,8H2
InChIKey
OEJCZBUJXIJRST-UHFFFAOYSA-N
Compound name
2-aminopentanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

109.063995 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 137.4
[M+Na]+ 132.05321 145.7
[M-H]- 108.05672 139.3
[M+NH4]+ 127.09782 152.0
[M+K]+ 148.02715 145.3
[M+H-H2O]+ 92.061255 123.2
[M+HCOO]- 154.06220 150.2
[M+CH3COO]- 168.07785 208.1
[M+Na-2H]- 130.03866 140.1
[M]+ 109.06345 128.4
[M]- 109.06454 128.4
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