CID 122235490

4-benzyl-5-methylmorpholine-2-carbonitrile

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1COC(CN1CC2=CC=CC=C2)C#N
InChI
InChI=1S/C13H16N2O/c1-11-10-16-13(7-14)9-15(11)8-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3
InChIKey
VRTSOOQJIPJZTJ-UHFFFAOYSA-N
Compound name
4-benzyl-5-methylmorpholine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 146.3
[M+Na]+ 239.11549 154.7
[M-H]- 215.11899 150.3
[M+NH4]+ 234.16009 160.3
[M+K]+ 255.08943 151.1
[M+H-H2O]+ 199.12353 131.8
[M+HCOO]- 261.12447 161.5
[M+CH3COO]- 275.14012 199.6
[M+Na-2H]- 237.10094 151.1
[M]+ 216.12572 139.1
[M]- 216.12682 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

No patent data available for this compound.