CID 85814

15190-13-3

Structural Information

Molecular Formula
C13H16N2O2
SMILES
COC1=CC=C(C=C1)C(C#N)N2CCOCC2
InChI
InChI=1S/C13H16N2O2/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15/h2-5,13H,6-9H2,1H3
InChIKey
FFBHHRZLHWDGQN-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-morpholin-4-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

232.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 156.5
[M+Na]+ 255.11041 168.1
[M+NH4]+ 250.15501 160.9
[M+K]+ 271.08435 158.9
[M-H]- 231.11391 153.3
[M+Na-2H]- 253.09586 160.1
[M]+ 232.12064 156.3
[M]- 232.12174 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe