CID 14267782

3-ethylmorpholine

Structural Information

Molecular Formula
C6H13NO
SMILES
CCC1COCCN1
InChI
InChI=1S/C6H13NO/c1-2-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3
InChIKey
JBQWQBSRIAGTJT-UHFFFAOYSA-N
Compound name
3-ethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

644
Patents

115.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.5
[M+Na]+ 138.08894 129.6
[M-H]- 114.09244 125.1
[M+NH4]+ 133.13354 143.5
[M+K]+ 154.06288 129.7
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 142.1
[M+CH3COO]- 174.11357 165.2
[M+Na-2H]- 136.07439 131.7
[M]+ 115.09917 119.6
[M]- 115.10027 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe