CID 98746

2,6-dimethyl-4-morpholinepropiononitrile

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC1CN(CC(O1)C)CCC#N
InChI
InChI=1S/C9H16N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3,5-7H2,1-2H3
InChIKey
BEJUPEKPJOPODY-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylmorpholin-4-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 131.4
[M+Na]+ 191.11549 139.8
[M-H]- 167.11899 133.5
[M+NH4]+ 186.16009 147.8
[M+K]+ 207.08943 139.0
[M+H-H2O]+ 151.12353 118.6
[M+HCOO]- 213.12447 146.8
[M+CH3COO]- 227.14012 192.8
[M+Na-2H]- 189.10094 136.6
[M]+ 168.12572 125.6
[M]- 168.12682 125.6
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