CID 6443357

4-mbi cpd

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

2
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]+ 234.112476 152.6
[M+Na]+ 256.094418 158.8
[M-H]- 232.097924 156.0
[M+NH4]+ 251.139023 170.1
[M+K]+ 272.068358 156.6
[M+H-H2O]+ 216.102460 145.9
[M+HCOO]- 278.103401 176.2
[M+CH3COO]- 292.119051 193.3
[M+Na-2H]- 254.079866 155.8
[M]+ 233.10465142 154.4
[M]- 233.10574858 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.