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]+ 168.065516 132.3
[M+Na]+ 190.047458 139.1
[M-H]- 166.050964 133.5
[M+NH4]+ 185.092063 150.8
[M+K]+ 206.021398 132.3
[M+H-H2O]+ 150.055500 131.7
[M+HCOO]- 212.056441 155.6
[M+CH3COO]- 226.072091 166.5
[M+Na-2H]- 188.032906 140.1
[M]+ 167.05769142 128.8
[M]- 167.05878858 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.