CID 208765

32954-06-6

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

2
Patents

168.06473 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.072006 134.9
[M+Na]+ 191.053948 142.3
[M-H]- 167.057454 138.9
[M+NH4]+ 186.098553 153.7
[M+K]+ 207.027888 142.9
[M+H-H2O]+ 151.061990 127.5
[M+HCOO]- 213.062931 161.0
[M+CH3COO]- 227.078581 185.1
[M+Na-2H]- 189.039396 139.4
[M]+ 168.06418142 133.4
[M]- 168.06527858 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