CID 6433205

Methylazoxymethanol

Structural Information

Molecular Formula
C2H6N2O2
SMILES
C/[N+](=N/CO)/[O-]
InChI
InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-
InChIKey
BJNBRIBHKLJMAG-ARJAWSKDSA-N
Compound name
(Z)-hydroxymethylimino-methyl-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

272
References

121
Patents

90.04293 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.050206 112.5
[M+Na]+ 113.032148 119.9
[M-H]- 89.035654 113.5
[M+NH4]+ 108.076753 135.3
[M+K]+ 129.006088 116.9
[M+H-H2O]+ 73.040190 112.9
[M+HCOO]- 135.041131 140.0
[M+CH3COO]- 149.056781 160.1
[M+Na-2H]- 111.017596 122.6
[M]+ 90.04238142 110.4
[M]- 90.04347858 110.4
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.