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
2
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]+ 169.133546 131.4
[M+Na]+ 191.115488 139.8
[M-H]- 167.118994 133.5
[M+NH4]+ 186.160093 147.8
[M+K]+ 207.089428 139.0
[M+H-H2O]+ 151.123530 118.6
[M+HCOO]- 213.124471 146.8
[M+CH3COO]- 227.140121 192.8
[M+Na-2H]- 189.100936 136.6
[M]+ 168.12572142 125.6
[M]- 168.12681858 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