CID 790704

N-(4-methylphenyl)morpholine-4-carboxamide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)N2CCOCC2
InChI
InChI=1S/C12H16N2O2/c1-10-2-4-11(5-3-10)13-12(15)14-6-8-16-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKey
SZSAAHFMPUDLMZ-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

220.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.6
[M+Na]+ 243.11041 162.3
[M+NH4]+ 238.15501 158.5
[M+K]+ 259.08435 156.5
[M-H]- 219.11391 155.6
[M+Na-2H]- 241.09586 157.3
[M]+ 220.12064 153.5
[M]- 220.12174 153.5
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