CID 20417

4-formylmorpholine

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1COCCN1C=O
InChI
InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
InChIKey
LCEDQNDDFOCWGG-UHFFFAOYSA-N
Compound name
morpholine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

26457
Patents

115.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 120.5
[M+Na]+ 138.052548 126.8
[M-H]- 114.056054 122.8
[M+NH4]+ 133.097153 140.1
[M+K]+ 154.026488 127.9
[M+H-H2O]+ 98.060590 114.4
[M+HCOO]- 160.061531 140.5
[M+CH3COO]- 174.077181 166.0
[M+Na-2H]- 136.037996 128.8
[M]+ 115.06278142 117.9
[M]- 115.06387858 117.9
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