CID 9578376

Dimethylaminomethylenedicyanodiamide

Structural Information

Molecular Formula
C5H9N5
SMILES
CN(C)/C=N/C(=NC#N)N
InChI
InChI=1S/C5H9N5/c1-10(2)4-9-5(7)8-3-6/h4H,1-2H3,(H2,7,8)/b9-4+
InChIKey
XPMKXIQZUPHFHT-RUDMXATFSA-N
Compound name
N'-(N'-cyanocarbamimidoyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.0858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 132.1
[M+Na]+ 162.075018 139.0
[M-H]- 138.078524 135.9
[M+NH4]+ 157.119623 151.6
[M+K]+ 178.048958 141.3
[M+H-H2O]+ 122.083060 118.7
[M+HCOO]- 184.084001 157.7
[M+CH3COO]- 198.099651 201.6
[M+Na-2H]- 160.060466 137.5
[M]+ 139.08525142 126.3
[M]- 139.08634858 126.3
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.