CID 126456455

1-aci-nitro-2-(4-hydroxyphenyl)ethane

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC=C1C/C=[N+](/O)\[O-])O
InChI
InChI=1S/C8H9NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,6,10H,5H2,(H,11,12)
InChIKey
YIKJHONXDKKKLG-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(4-hydroxyphenyl)ethanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.0
[M+Na]+ 190.04746 144.6
[M+NH4]+ 185.09206 139.9
[M+K]+ 206.02140 141.5
[M-H]- 166.05096 134.4
[M+Na-2H]- 188.03291 137.9
[M]+ 167.05769 134.2
[M]- 167.05879 134.2
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.