CID 3045558

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

Structural Information

Molecular Formula
C7H12N6O
SMILES
CC1=C(ON=C1C)N(C(=N)N)C(=N)N
InChI
InChI=1S/C7H12N6O/c1-3-4(2)12-14-5(3)13(6(8)9)7(10)11/h1-2H3,(H3,8,9)(H3,10,11)
InChIKey
GPPOWEABTWXTFS-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(3,4-dimethyl-1,2-oxazol-5-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10725 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.114526 146.3
[M+Na]+ 219.096468 152.2
[M-H]- 195.099974 150.7
[M+NH4]+ 214.141073 163.4
[M+K]+ 235.070408 152.8
[M+H-H2O]+ 179.104510 138.0
[M+HCOO]- 241.105451 172.7
[M+CH3COO]- 255.121101 199.1
[M+Na-2H]- 217.081916 148.8
[M]+ 196.10670142 141.9
[M]- 196.10779858 141.9
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.