CID 7099156

152305-23-2

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1[C@@H](NC(=O)O1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
InChIKey
WNAVSKJKDPLWBD-VIFPVBQESA-N
Compound name
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

112
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.8
[M+Na]+ 215.07909 147.8
[M-H]- 191.08259 145.0
[M+NH4]+ 210.12369 158.1
[M+K]+ 231.05303 145.4
[M+H-H2O]+ 175.08713 133.8
[M+HCOO]- 237.08807 161.7
[M+CH3COO]- 251.10372 180.5
[M+Na-2H]- 213.06454 144.8
[M]+ 192.08932 136.9
[M]- 192.09042 136.9
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