CID 6871288

1121-47-7

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1=COC(=C1)/C=N/O
InChI
InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKey
UYTMLDBQFLIQJA-GQCTYLIASA-N
Compound name
(NE)-N-(furan-2-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

154
Patents

111.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 116.8
[M+Na]+ 134.02125 125.3
[M-H]- 110.02475 121.5
[M+NH4]+ 129.06585 139.8
[M+K]+ 149.99519 125.9
[M+H-H2O]+ 94.029290 111.8
[M+HCOO]- 156.03023 144.2
[M+CH3COO]- 170.04588 166.5
[M+Na-2H]- 132.00670 126.2
[M]+ 111.03148 117.9
[M]- 111.03258 117.9
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

patents stripe