CID 202711

13146-43-5

Structural Information

Molecular Formula
C13H25NO2
SMILES
CCCCC(C)(CC)C(=O)N1CCOCC1
InChI
InChI=1S/C13H25NO2/c1-4-6-7-13(3,5-2)12(15)14-8-10-16-11-9-14/h4-11H2,1-3H3
InChIKey
AXZANOURTPQIGW-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-1-morpholin-4-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.18852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 157.3
[M+Na]+ 250.17774 160.6
[M-H]- 226.18124 158.6
[M+NH4]+ 245.22234 172.7
[M+K]+ 266.15168 160.5
[M+H-H2O]+ 210.18578 150.6
[M+HCOO]- 272.18672 172.1
[M+CH3COO]- 286.20237 190.8
[M+Na-2H]- 248.16319 160.9
[M]+ 227.18797 156.6
[M]- 227.18907 156.6
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

patents stripe