CID 13444041

Morpholine-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1COCC(N1)C#N
InChI
InChI=1S/C5H8N2O/c6-3-5-4-8-2-1-7-5/h5,7H,1-2,4H2
InChIKey
OTGILAPKWVHCSM-UHFFFAOYSA-N
Compound name
morpholine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

112.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 117.6
[M+Na]+ 135.05288 125.4
[M-H]- 111.05638 118.3
[M+NH4]+ 130.09748 134.8
[M+K]+ 151.02682 124.6
[M+H-H2O]+ 95.060920 105.2
[M+HCOO]- 157.06186 132.7
[M+CH3COO]- 171.07751 177.5
[M+Na-2H]- 133.03833 125.4
[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

No literature data available for this compound.

Patent stripe

patents stripe