CID 6510140

3-hydroxy-3-propyl-2-hexanone o-ethyloxime

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCCC(CCC)(/C(=N\OCC)/C)O
InChI
InChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3/b12-10-
InChIKey
BWYWOFIWDZMZRY-BENRWUELSA-N
Compound name
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 151.0
[M+Na]+ 224.16210 155.8
[M-H]- 200.16560 150.7
[M+NH4]+ 219.20670 170.2
[M+K]+ 240.13604 155.4
[M+H-H2O]+ 184.17014 145.8
[M+HCOO]- 246.17108 172.3
[M+CH3COO]- 260.18673 190.6
[M+Na-2H]- 222.14755 155.0
[M]+ 201.17233 154.3
[M]- 201.17343 154.3
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.