CID 118407215

Rac-(2r,6r)-4-benzyl-6-methylmorpholine-2-carbonitrile

Structural Information

Molecular Formula
C13H16N2O
SMILES
C[C@@H]1CN(C[C@@H](O1)C#N)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1
InChIKey
CFPNZEFGACMFGY-YPMHNXCESA-N
Compound name
(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 146.3
[M+Na]+ 239.115488 154.7
[M-H]- 215.118994 150.3
[M+NH4]+ 234.160093 160.3
[M+K]+ 255.089428 151.1
[M+H-H2O]+ 199.123530 131.8
[M+HCOO]- 261.124471 161.5
[M+CH3COO]- 275.140121 199.6
[M+Na-2H]- 237.100936 151.1
[M]+ 216.12572142 139.1
[M]- 216.12681858 139.1
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

patents stripe