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

166
Patents

112.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 117.6
[M+Na]+ 135.052878 125.4
[M-H]- 111.056384 118.3
[M+NH4]+ 130.097483 134.8
[M+K]+ 151.026818 124.6
[M+H-H2O]+ 95.060920 105.2
[M+HCOO]- 157.061861 132.7
[M+CH3COO]- 171.077511 177.5
[M+Na-2H]- 133.038326 125.4
[M]+ 112.06311142 108.0
[M]- 112.06420858 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