CID 126456455

1-aci-nitro-2-(p-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

2
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 132.3
[M+Na]+ 190.04746 139.1
[M-H]- 166.05096 133.5
[M+NH4]+ 185.09206 150.8
[M+K]+ 206.02140 132.3
[M+H-H2O]+ 150.05550 131.7
[M+HCOO]- 212.05644 155.6
[M+CH3COO]- 226.07209 166.5
[M+Na-2H]- 188.03291 140.1
[M]+ 167.05769 128.8
[M]- 167.05879 128.8
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

No patent data available for this compound.