CID 208765

1-(5-methyl-3-isoxazolylcarbonyl)guanidine

Structural Information

Molecular Formula
C6H8N4O2
SMILES
CC1=CC(=NO1)C(=O)N=C(N)N
InChI
InChI=1S/C6H8N4O2/c1-3-2-4(10-12-3)5(11)9-6(7)8/h2H,1H3,(H4,7,8,9,11)
InChIKey
BJUCKDVSLQLAFG-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.06473 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 134.9
[M+Na]+ 191.05395 142.3
[M-H]- 167.05745 138.9
[M+NH4]+ 186.09855 153.7
[M+K]+ 207.02789 142.9
[M+H-H2O]+ 151.06199 127.5
[M+HCOO]- 213.06293 161.0
[M+CH3COO]- 227.07858 185.1
[M+Na-2H]- 189.03940 139.4
[M]+ 168.06418 133.4
[M]- 168.06528 133.4
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

patents stripe