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]+ 169.08324 135.2
[M+Na]+ 191.06518 140.1
[M-H]- 167.06868 139.2
[M+NH4]+ 186.10978 152.7
[M+K]+ 207.03912 141.2
[M+H-H2O]+ 151.07322 126.7
[M+HCOO]- 213.07416 162.3
[M+CH3COO]- 227.08981 190.5
[M+Na-2H]- 189.05063 140.4
[M]+ 168.07541 129.4
[M]- 168.07651 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.