CID 6509925

3-hydroxy-3-methyl-2-hexanone o-methyloxime

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCC(C)(/C(=N\OC)/C)O
InChI
InChI=1S/C8H17NO2/c1-5-6-8(3,10)7(2)9-11-4/h10H,5-6H2,1-4H3/b9-7-
InChIKey
SSOQLUDBUABZFA-CLFYSBASSA-N
Compound name
(2Z)-2-methoxyimino-3-methylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.0
[M+Na]+ 182.11515 143.1
[M-H]- 158.11865 137.3
[M+NH4]+ 177.15975 157.9
[M+K]+ 198.08909 143.5
[M+H-H2O]+ 142.12319 132.4
[M+HCOO]- 204.12413 159.4
[M+CH3COO]- 218.13978 181.5
[M+Na-2H]- 180.10060 142.7
[M]+ 159.12538 139.2
[M]- 159.12648 139.2
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.