CID 49793634

Ns00133137

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=CC(=NO1)N=NC2=NOC(=C2)C
InChI
InChI=1S/C8H8N4O2/c1-5-3-7(11-13-5)9-10-8-4-6(2)14-12-8/h3-4H,1-2H3
InChIKey
GELSYUBDYSFDOB-UHFFFAOYSA-N
Compound name
bis(5-methyl-1,2-oxazol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.06473 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 136.6
[M+Na]+ 215.053948 147.9
[M-H]- 191.057454 146.1
[M+NH4]+ 210.098553 155.4
[M+K]+ 231.027888 149.4
[M+H-H2O]+ 175.061990 128.9
[M+HCOO]- 237.062931 166.9
[M+CH3COO]- 251.078581 189.3
[M+Na-2H]- 213.039396 145.2
[M]+ 192.06418142 143.9
[M]- 192.06527858 143.9
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.