CID 135705436

Hph 16

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

0
Patents

140.08238 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08966 126.1
[M+Na]+ 163.07160 136.0
[M-H]- 139.07510 128.2
[M+NH4]+ 158.11620 146.9
[M+K]+ 179.04554 129.4
[M+H-H2O]+ 123.07964 122.3
[M+HCOO]- 185.08058 151.0
[M+CH3COO]- 199.09623 168.4
[M+Na-2H]- 161.05705 135.1
[M]+ 140.08183 125.9
[M]- 140.08293 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.