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 146.3
[M+Na]+ 210.14645 151.6
[M-H]- 186.14995 146.3
[M+NH4]+ 205.19105 166.1
[M+K]+ 226.12039 151.5
[M+H-H2O]+ 170.15449 141.3
[M+HCOO]- 232.15543 168.0
[M+CH3COO]- 246.17108 187.6
[M+Na-2H]- 208.13190 150.9
[M]+ 187.15668 149.3
[M]- 187.15778 149.3
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.