CID 2783443

2-(diaminomethylidene)propanedinitrile

Structural Information

Molecular Formula
C4H4N4
SMILES
C(#N)C(=C(N)N)C#N
InChI
InChI=1S/C4H4N4/c5-1-3(2-6)4(7)8/h7-8H2
InChIKey
KBGWULLXFVTZCA-UHFFFAOYSA-N
Compound name
2-(diaminomethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

108.043594 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.050870 142.8
[M+Na]+ 131.032812 150.4
[M-H]- 107.036318 144.2
[M+NH4]+ 126.077417 156.7
[M+K]+ 147.006752 150.4
[M+H-H2O]+ 91.040854 128.2
[M+HCOO]- 153.041795 155.1
[M+CH3COO]- 167.057445 208.4
[M+Na-2H]- 129.018260 143.6
[M]+ 108.04304542 131.1
[M]- 108.04414258 131.1
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