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]+ 228.195796 157.3
[M+Na]+ 250.177738 160.6
[M-H]- 226.181244 158.6
[M+NH4]+ 245.222343 172.7
[M+K]+ 266.151678 160.5
[M+H-H2O]+ 210.185780 150.6
[M+HCOO]- 272.186721 172.1
[M+CH3COO]- 286.202371 190.8
[M+Na-2H]- 248.163186 160.9
[M]+ 227.18797142 156.6
[M]- 227.18906858 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