CID 407653

Nsc 8145

Structural Information

Molecular Formula
C3H3N5
SMILES
C(#N)NC(=NC#N)N
InChI
InChI=1S/C3H3N5/c4-1-7-3(6)8-2-5/h(H3,6,7,8)
InChIKey
CXCSZVYZVSDARW-UHFFFAOYSA-N
Compound name
1,2-dicyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

109.03885 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.04613 139.3
[M+Na]+ 132.02807 146.8
[M-H]- 108.03157 141.7
[M+NH4]+ 127.07267 153.4
[M+K]+ 148.00201 147.7
[M+H-H2O]+ 92.036110 124.2
[M+HCOO]- 154.03705 154.3
[M+CH3COO]- 168.05270 210.9
[M+Na-2H]- 130.01352 142.5
[M]+ 109.03830 129.1
[M]- 109.03940 129.1
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