CID 6509924

3-hydroxy-3-methyl-2-hexanone o-ethyloxime

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCC(C)(/C(=N\OCC)/C)O
InChI
InChI=1S/C9H19NO2/c1-5-7-9(4,11)8(3)10-12-6-2/h11H,5-7H2,1-4H3/b10-8-
InChIKey
MVHXLLNBURAVKS-NTMALXAHSA-N
Compound name
(2Z)-2-ethoxyimino-3-methylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.1
[M+Na]+ 196.13081 149.3
[M+NH4]+ 191.17541 147.8
[M+K]+ 212.10475 145.0
[M-H]- 172.13431 139.7
[M+Na-2H]- 194.11626 143.7
[M]+ 173.14104 141.6
[M]- 173.14214 141.6
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.