CID 428203

3553-49-9

Structural Information

Molecular Formula
C4H8N8
SMILES
C1(=NC(=NC(=N1)N=C(N)N)N)N
InChI
InChI=1S/C4H8N8/c5-1(6)9-4-11-2(7)10-3(8)12-4/h(H8,5,6,7,8,9,10,11,12)
InChIKey
QLVPICNVQBBOQP-UHFFFAOYSA-N
Compound name
2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1237
Patents

168.08719 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09447 133.1
[M+Na]+ 191.07641 141.2
[M-H]- 167.07991 133.7
[M+NH4]+ 186.12101 148.0
[M+K]+ 207.05035 139.3
[M+H-H2O]+ 151.08445 124.3
[M+HCOO]- 213.08539 158.8
[M+CH3COO]- 227.10104 192.1
[M+Na-2H]- 189.06186 139.9
[M]+ 168.08664 126.6
[M]- 168.08774 126.6
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