CID 292103

3-methylmorpholine

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1COCCN1
InChI
InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
InChIKey
SFWWGMKXCYLZEG-UHFFFAOYSA-N
Compound name
3-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6800
Patents

101.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.9
[M+Na]+ 124.07328 125.4
[M-H]- 100.07678 120.7
[M+NH4]+ 119.11788 139.5
[M+K]+ 140.04722 125.8
[M+H-H2O]+ 84.081320 114.2
[M+HCOO]- 146.08226 137.9
[M+CH3COO]- 160.09791 162.2
[M+Na-2H]- 122.05873 127.6
[M]+ 101.08351 114.6
[M]- 101.08461 114.6
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