CID 135453282

Acetaminophen_oxime

Structural Information

Molecular Formula
C8H9NO2
SMILES
C/C(=N/O)/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/b9-6-
InChIKey
BVZSQTRWIYKUSF-TWGQIWQCSA-N
Compound name
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

287
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 130.1
[M+Na]+ 174.05254 141.6
[M+NH4]+ 169.09714 138.1
[M+K]+ 190.02648 136.4
[M-H]- 150.05604 131.8
[M+Na-2H]- 172.03799 136.6
[M]+ 151.06277 132.0
[M]- 151.06387 132.0
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