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

26243
Patents

115.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.5
[M+Na]+ 138.05255 126.8
[M-H]- 114.05605 122.8
[M+NH4]+ 133.09715 140.1
[M+K]+ 154.02649 127.9
[M+H-H2O]+ 98.060590 114.4
[M+HCOO]- 160.06153 140.5
[M+CH3COO]- 174.07718 166.0
[M+Na-2H]- 136.03800 128.8
[M]+ 115.06278 117.9
[M]- 115.06388 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