CID 564984

2-(cyanomethylamino)pentanedinitrile

Structural Information

Molecular Formula
C7H8N4
SMILES
C(CC(C#N)NCC#N)C#N
InChI
InChI=1S/C7H8N4/c8-3-1-2-7(6-10)11-5-4-9/h7,11H,1-2,5H2
InChIKey
ALVGXHMBGMBVTN-UHFFFAOYSA-N
Compound name
2-(cyanomethylamino)pentanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.07489 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 157.5
[M+Na]+ 171.064108 163.9
[M-H]- 147.067614 160.9
[M+NH4]+ 166.108713 165.8
[M+K]+ 187.038048 163.2
[M+H-H2O]+ 131.072150 144.9
[M+HCOO]- 193.073091 163.5
[M+CH3COO]- 207.088741 232.8
[M+Na-2H]- 169.049556 157.1
[M]+ 148.07434142 149.9
[M]- 148.07543858 149.9
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

No patent data available for this compound.