CID 577562

247225-27-0

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8,14H2,1-2H3
InChIKey
IKSBDRQBCCVQBT-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.6
[M+Na]+ 257.12605 161.7
[M-H]- 233.12955 160.9
[M+NH4]+ 252.17065 170.3
[M+K]+ 273.09999 160.0
[M+H-H2O]+ 217.13409 147.6
[M+HCOO]- 279.13503 173.8
[M+CH3COO]- 293.15068 194.0
[M+Na-2H]- 255.11150 157.9
[M]+ 234.13628 152.1
[M]- 234.13738 152.1
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