CID 10005

Dicyandiamide

Structural Information

Molecular Formula
C2H4N4
SMILES
C(#N)N=C(N)N
InChI
InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChIKey
QGBSISYHAICWAH-UHFFFAOYSA-N
Compound name
2-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

250
References

90960
Patents

84.043594 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.050870 116.6
[M+Na]+ 107.03281 124.7
[M-H]- 83.036318 118.0
[M+NH4]+ 102.07742 137.0
[M+K]+ 123.00675 125.8
[M+H-H2O]+ 67.040854 104.7
[M+HCOO]- 129.04180 139.8
[M+CH3COO]- 143.05744 184.8
[M+Na-2H]- 105.01826 122.7
[M]+ 84.043045 107.6
[M]- 84.044143 107.6
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