CID 135443541

Brl 51308

Structural Information

Molecular Formula
C9H15N5O2
SMILES
CCOC(=O)C1=C(N=C(N1)C)/N=N/N(C)C
InChI
InChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h5H2,1-4H3,(H,10,11)/b13-12+
InChIKey
NUEUPPUYXCLQHE-OUKQBFOZSA-N
Compound name
ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.12257 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12985 149.7
[M+Na]+ 248.11179 157.0
[M-H]- 224.11529 154.1
[M+NH4]+ 243.15639 167.7
[M+K]+ 264.08573 157.7
[M+H-H2O]+ 208.11983 141.0
[M+HCOO]- 270.12077 177.3
[M+CH3COO]- 284.13642 201.8
[M+Na-2H]- 246.09724 154.0
[M]+ 225.12202 153.6
[M]- 225.12312 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.