CID 6510139

3-hydroxy-3-propyl-2-hexanone o-methyloxime

Structural Information

Molecular Formula
C10H21NO2
SMILES
CCCC(CCC)(/C(=N\OC)/C)O
InChI
InChI=1S/C10H21NO2/c1-5-7-10(12,8-6-2)9(3)11-13-4/h12H,5-8H2,1-4H3/b11-9-
InChIKey
QXVYDTAETOMIQT-LUAWRHEFSA-N
Compound name
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 145.5
[M+Na]+ 210.14645 153.5
[M+NH4]+ 205.19105 152.0
[M+K]+ 226.12039 149.0
[M-H]- 186.14995 144.1
[M+Na-2H]- 208.13190 147.8
[M]+ 187.15668 145.9
[M]- 187.15778 145.9
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.