CID 90482

4-methyl-1h-imidazol-1-ol 3-oxide

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CC1=CN(C=[N+]1[O-])O
InChI
InChI=1S/C4H6N2O2/c1-4-2-5(7)3-6(4)8/h2-3,7H,1H3
InChIKey
VYNJQZZELSAPLR-UHFFFAOYSA-N
Compound name
1-hydroxy-4-methyl-3-oxidoimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 118.6
[M+Na]+ 137.032148 129.0
[M-H]- 113.035654 118.0
[M+NH4]+ 132.076753 139.3
[M+K]+ 153.006088 123.1
[M+H-H2O]+ 97.040190 118.0
[M+HCOO]- 159.041131 141.1
[M+CH3COO]- 173.056781 155.3
[M+Na-2H]- 135.017596 127.0
[M]+ 114.04238142 116.3
[M]- 114.04347858 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.