CID 16777493

2-methyl-4-(morpholine-4-carbonyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

220.12119 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.8
[M+Na]+ 243.11041 156.4
[M-H]- 219.11391 155.9
[M+NH4]+ 238.15501 165.8
[M+K]+ 259.08435 154.9
[M+H-H2O]+ 203.11845 142.8
[M+HCOO]- 265.11939 169.4
[M+CH3COO]- 279.13504 189.7
[M+Na-2H]- 241.09586 154.4
[M]+ 220.12064 146.6
[M]- 220.12174 146.6
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