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 152.6
[M+Na]+ 256.09442 158.8
[M-H]- 232.09792 156.0
[M+NH4]+ 251.13902 170.1
[M+K]+ 272.06836 156.6
[M+H-H2O]+ 216.10246 145.9
[M+HCOO]- 278.10340 176.2
[M+CH3COO]- 292.11905 193.3
[M+Na-2H]- 254.07987 155.8
[M]+ 233.10465 154.4
[M]- 233.10575 154.4
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.