CID 6509923

3-ethyl-3-hydroxy-2-pentanone o-(phenylmethyl)oxime

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC(CC)(/C(=N\OCC1=CC=CC=C1)/C)O
InChI
InChI=1S/C14H21NO2/c1-4-14(16,5-2)12(3)15-17-11-13-9-7-6-8-10-13/h6-10,16H,4-5,11H2,1-3H3/b15-12-
InChIKey
NHTPXBWRDYOURX-QINSGFPZSA-N
Compound name
(2Z)-3-ethyl-2-phenylmethoxyiminopentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.8
[M+Na]+ 258.14645 161.7
[M-H]- 234.14995 159.8
[M+NH4]+ 253.19105 174.3
[M+K]+ 274.12039 159.9
[M+H-H2O]+ 218.15449 150.3
[M+HCOO]- 280.15543 178.9
[M+CH3COO]- 294.17108 194.9
[M+Na-2H]- 256.13190 162.1
[M]+ 235.15668 158.8
[M]- 235.15778 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.