CID 18624560

3-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1COC(=O)N1CC2=CC=C(C=C2)N
InChI
InChI=1S/C10H12N2O2/c11-9-3-1-8(2-4-9)7-12-5-6-14-10(12)13/h1-4H,5-7,11H2
InChIKey
WOIBIOHIFPYFSO-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

192.08987 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe