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

41850
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.