CID 97751

4-(2,3-epoxypropyl)morpholine

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1COCCN1CC2CO2
InChI
InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2
InChIKey
KKWQCCPQBCHJBZ-UHFFFAOYSA-N
Compound name
4-(oxiran-2-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
Patents

143.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 133.5
[M+Na]+ 166.083858 140.9
[M-H]- 142.087364 140.3
[M+NH4]+ 161.128463 146.0
[M+K]+ 182.057798 142.3
[M+H-H2O]+ 126.091900 125.7
[M+HCOO]- 188.092841 151.9
[M+CH3COO]- 202.108491 175.4
[M+Na-2H]- 164.069306 141.5
[M]+ 143.09409142 134.2
[M]- 143.09518858 134.2
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