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 141.7
[M+Na]+ 196.13081 147.4
[M-H]- 172.13431 141.8
[M+NH4]+ 191.17541 162.0
[M+K]+ 212.10475 147.5
[M+H-H2O]+ 156.13885 136.9
[M+HCOO]- 218.13979 163.7
[M+CH3COO]- 232.15544 184.6
[M+Na-2H]- 194.11626 146.8
[M]+ 173.14104 144.3
[M]- 173.14214 144.3
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.