CID 3045535

Imidodicarbonimidic diamide, n-(4-methyl-3-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C6H10N6O
SMILES
CC1=CON=C1N(C(=N)N)C(=N)N
InChI
InChI=1S/C6H10N6O/c1-3-2-13-11-4(3)12(5(7)8)6(9)10/h2H,1H3,(H3,7,8)(H3,9,10)
InChIKey
HBBGRFLPAKKZPH-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(4-methyl-1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.09161 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.098886 140.8
[M+Na]+ 205.080828 146.2
[M-H]- 181.084334 145.0
[M+NH4]+ 200.125433 158.1
[M+K]+ 221.054768 147.0
[M+H-H2O]+ 165.088870 132.4
[M+HCOO]- 227.089811 167.5
[M+CH3COO]- 241.105461 194.8
[M+Na-2H]- 203.066276 144.7
[M]+ 182.09106142 135.7
[M]- 182.09215858 135.7
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.