CID 15158297

5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1C(OC(=O)N1C2=CC=CC=C2)CN
InChI
InChI=1S/C10H12N2O2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKey
QQJDFBSOHQQLGC-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

192.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 140.2
[M+Na]+ 215.079088 147.7
[M-H]- 191.082594 145.9
[M+NH4]+ 210.123693 158.3
[M+K]+ 231.053028 146.2
[M+H-H2O]+ 175.087130 133.1
[M+HCOO]- 237.088071 162.7
[M+CH3COO]- 251.103721 182.9
[M+Na-2H]- 213.064536 144.7
[M]+ 192.08932142 138.2
[M]- 192.09041858 138.2
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