CID 3045537

Imidodicarbonimidic diamide, n-3-isoxazolyl-, monohydrochloride

Structural Information

Molecular Formula
C5H8N6O
SMILES
C1=CON=C1N(C(=N)N)C(=N)N
InChI
InChI=1S/C5H8N6O/c6-4(7)11(5(8)9)3-1-2-12-10-3/h1-2H,(H3,6,7)(H3,8,9)
InChIKey
URXHZCLNFPWRMV-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07596 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.083236 135.2
[M+Na]+ 191.065178 140.1
[M-H]- 167.068684 139.2
[M+NH4]+ 186.109783 152.7
[M+K]+ 207.039118 141.2
[M+H-H2O]+ 151.073220 126.7
[M+HCOO]- 213.074161 162.3
[M+CH3COO]- 227.089811 190.5
[M+Na-2H]- 189.050626 140.4
[M]+ 168.07541142 129.4
[M]- 168.07650858 129.4
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.