CID 96522

4'-hydroxyacetophenone oxime

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=NO)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,10-11H,1H3
InChIKey
BVZSQTRWIYKUSF-UHFFFAOYSA-N
Compound name
4-(N-hydroxy-C-methylcarbonimidoyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

320
Patents

151.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.2
[M+Na]+ 174.05254 136.8
[M-H]- 150.05604 132.0
[M+NH4]+ 169.09714 149.6
[M+K]+ 190.02648 135.1
[M+H-H2O]+ 134.06058 123.8
[M+HCOO]- 196.06152 153.4
[M+CH3COO]- 210.07717 175.0
[M+Na-2H]- 172.03799 135.8
[M]+ 151.06277 128.0
[M]- 151.06387 128.0
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