CID 135705436

1h-imidazolium, 1,3-dimethyl-2-((hydroxyimino)methyl)-, iodide

Structural Information

Molecular Formula
C6H10N3O
SMILES
CN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C6H9N3O/c1-8-3-4-9(2)6(8)5-7-10/h3-5H,1-2H3/p+1
InChIKey
HRMIIZRRXDMRNV-UHFFFAOYSA-O
Compound name
(NE)-N-[(1,3-dimethylimidazol-1-ium-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.08238 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.089656 126.1
[M+Na]+ 163.071598 136.0
[M-H]- 139.075104 128.2
[M+NH4]+ 158.116203 146.9
[M+K]+ 179.045538 129.4
[M+H-H2O]+ 123.079640 122.3
[M+HCOO]- 185.080581 151.0
[M+CH3COO]- 199.096231 168.4
[M+Na-2H]- 161.057046 135.1
[M]+ 140.08183142 125.9
[M]- 140.08292858 125.9
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.