CID 28917387

4-(3-aminophenyl)morpholin-3-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1COCC(=O)N1C2=CC=CC(=C2)N
InChI
InChI=1S/C10H12N2O2/c11-8-2-1-3-9(6-8)12-4-5-14-7-10(12)13/h1-3,6H,4-5,7,11H2
InChIKey
IABQKUMPNMOSKF-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.0
[M+Na]+ 215.079088 147.7
[M-H]- 191.082594 146.3
[M+NH4]+ 210.123693 157.1
[M+K]+ 231.053028 146.1
[M+H-H2O]+ 175.087130 133.2
[M+HCOO]- 237.088071 161.2
[M+CH3COO]- 251.103721 183.4
[M+Na-2H]- 213.064536 146.9
[M]+ 192.08932142 136.8
[M]- 192.09041858 136.8
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