CID 2799271

3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1CN(CC(O1)C)C(=O)CC#N
InChI
InChI=1S/C9H14N2O2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3,5-6H2,1-2H3
InChIKey
MVTWXVWAQWYWIM-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 135.0
[M+Na]+ 205.09475 143.3
[M-H]- 181.09825 137.1
[M+NH4]+ 200.13935 150.7
[M+K]+ 221.06869 142.9
[M+H-H2O]+ 165.10279 122.2
[M+HCOO]- 227.10373 149.8
[M+CH3COO]- 241.11938 194.1
[M+Na-2H]- 203.08020 139.0
[M]+ 182.10498 129.1
[M]- 182.10608 129.1
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

No patent data available for this compound.