CID 7972

4-methylmorpholine

Structural Information

Molecular Formula
C5H11NO
SMILES
CN1CCOCC1
InChI
InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKey
SJRJJKPEHAURKC-UHFFFAOYSA-N
Compound name
4-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

94
References

40325
Patents

101.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 118.9
[M+Na]+ 124.07328 124.9
[M-H]- 100.07678 121.1
[M+NH4]+ 119.11788 139.2
[M+K]+ 140.04722 126.2
[M+H-H2O]+ 84.081320 112.9
[M+HCOO]- 146.08226 138.4
[M+CH3COO]- 160.09791 164.9
[M+Na-2H]- 122.05873 127.2
[M]+ 101.08351 115.5
[M]- 101.08461 115.5
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