CID 3045539

Imidodicarbonimidic diamide, n-(4,5-dimethyl-3-isoxazolyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C8H14N6O
SMILES
CC1=C(ON=C1N=C(N)N(C)C(=N)N)C
InChI
InChI=1S/C8H14N6O/c1-4-5(2)15-13-6(4)12-8(11)14(3)7(9)10/h1-3H3,(H3,9,10)(H2,11,12,13)
InChIKey
JBKHPNIUOYETNT-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-2-(4,5-dimethyl-1,2-oxazol-3-yl)-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.12291 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13019 150.9
[M+Na]+ 233.11213 156.8
[M-H]- 209.11563 156.5
[M+NH4]+ 228.15673 168.2
[M+K]+ 249.08607 158.0
[M+H-H2O]+ 193.12017 142.3
[M+HCOO]- 255.12111 178.4
[M+CH3COO]- 269.13676 203.7
[M+Na-2H]- 231.09758 153.4
[M]+ 210.12236 148.7
[M]- 210.12346 148.7
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.