CID 3045527

1-methyl-5-(5-methyl-isoxazol-3-yl)biguanide

Structural Information

Molecular Formula
C7H12N6O
SMILES
CC1=CC(=NO1)N=C(N)N(C)C(=N)N
InChI
InChI=1S/C7H12N6O/c1-4-3-5(12-14-4)11-7(10)13(2)6(8)9/h3H,1-2H3,(H3,8,9)(H2,10,11,12)
InChIKey
LKPRNKQZEGWYQW-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-methyl-2-(5-methyl-1,2-oxazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10725 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11453 145.4
[M+Na]+ 219.09647 150.7
[M+NH4]+ 214.14107 150.8
[M+K]+ 235.07041 150.8
[M-H]- 195.09997 148.5
[M+Na-2H]- 217.08192 148.2
[M]+ 196.10670 146.2
[M]- 196.10780 146.2
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.