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]+ 198.09856 140.4
[M+Na]+ 220.08050 147.6
[M-H]- 196.08400 144.7
[M+NH4]+ 215.12510 159.2
[M+K]+ 236.05444 148.8
[M+H-H2O]+ 180.08854 131.7
[M+HCOO]- 242.08948 168.7
[M+CH3COO]- 256.10513 194.6
[M+Na-2H]- 218.06595 146.4
[M]+ 197.09073 143.1
[M]- 197.09183 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.