CID 73738

4-morpholinecarbonitrile

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1COCCN1C#N
InChI
InChI=1S/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2
InChIKey
BOQOXLAQTDFJKU-UHFFFAOYSA-N
Compound name
morpholine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

922
Patents

112.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 115.9
[M+Na]+ 135.05288 124.1
[M-H]- 111.05638 117.7
[M+NH4]+ 130.09748 133.7
[M+K]+ 151.02682 124.1
[M+H-H2O]+ 95.060920 103.2
[M+HCOO]- 157.06186 132.3
[M+CH3COO]- 171.07751 179.9
[M+Na-2H]- 133.03833 124.2
[M]+ 112.06311 108.0
[M]- 112.06421 108.0
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