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]+ 140.09308 132.1
[M+Na]+ 162.07502 139.0
[M-H]- 138.07852 135.9
[M+NH4]+ 157.11962 151.6
[M+K]+ 178.04896 141.3
[M+H-H2O]+ 122.08306 118.7
[M+HCOO]- 184.08400 157.7
[M+CH3COO]- 198.09965 201.6
[M+Na-2H]- 160.06047 137.5
[M]+ 139.08525 126.3
[M]- 139.08635 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.