CID 135699320

1-(5-hexyl-2,4-dihydroxyphenyl)ethanone oxime

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCCCCCC1=CC(=C(C=C1O)O)/C(=N/O)/C
InChI
InChI=1S/C14H21NO3/c1-3-4-5-6-7-11-8-12(10(2)15-18)14(17)9-13(11)16/h8-9,16-18H,3-7H2,1-2H3/b15-10+
InChIKey
IAQDOAZDQHZYFD-XNTDXEJSSA-N
Compound name
4-hexyl-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.6
[M+Na]+ 274.14137 165.9
[M-H]- 250.14487 160.6
[M+NH4]+ 269.18597 175.7
[M+K]+ 290.11531 162.5
[M+H-H2O]+ 234.14941 153.4
[M+HCOO]- 296.15035 180.3
[M+CH3COO]- 310.16600 195.3
[M+Na-2H]- 272.12682 161.1
[M]+ 251.15160 160.9
[M]- 251.15270 160.9
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.