CID 6443357

Chembl4175813

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC(=CCOC1=CC=C(C=C1)C(=O)/C=N/O)C
InChI
InChI=1S/C13H15NO3/c1-10(2)7-8-17-12-5-3-11(4-6-12)13(15)9-14-16/h3-7,9,16H,8H2,1-2H3/b14-9+
InChIKey
DIKOBVULVNJCCO-NTEUORMPSA-N
Compound name
(2E)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 153.7
[M+Na]+ 256.09442 164.0
[M+NH4]+ 251.13902 159.9
[M+K]+ 272.06836 158.4
[M-H]- 232.09792 154.5
[M+Na-2H]- 254.07987 158.4
[M]+ 233.10465 155.0
[M]- 233.10575 155.0
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

No patent data available for this compound.