CID 135478737

10197-64-5

Structural Information

Molecular Formula
C7H11N5O2
SMILES
CN(C)/N=N/C1=C(NC=N1)C(=O)OC
InChI
InChI=1S/C7H11N5O2/c1-12(2)11-10-6-5(7(13)14-3)8-4-9-6/h4H,1-3H3,(H,8,9)/b11-10+
InChIKey
JGBCOMOYIPBHIS-ZHACJKMWSA-N
Compound name
methyl 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

197.09128 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.098556 140.4
[M+Na]+ 220.080498 147.6
[M-H]- 196.084004 144.7
[M+NH4]+ 215.125103 159.2
[M+K]+ 236.054438 148.8
[M+H-H2O]+ 180.088540 131.7
[M+HCOO]- 242.089481 168.7
[M+CH3COO]- 256.105131 194.6
[M+Na-2H]- 218.065946 146.4
[M]+ 197.09073142 143.1
[M]- 197.09182858 143.1
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.