CID 3056417

73771-46-7

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1(COC(N1)C2=CC(=CC=C2)[N+](=O)[O-])CO
InChI
InChI=1S/C11H14N2O4/c1-11(6-14)7-17-10(12-11)8-3-2-4-9(5-8)13(15)16/h2-5,10,12,14H,6-7H2,1H3
InChIKey
DCPOCTSXCKUCGK-UHFFFAOYSA-N
Compound name
[4-methyl-2-(3-nitrophenyl)-1,3-oxazolidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 150.1
[M+Na]+ 261.084568 156.1
[M-H]- 237.088074 153.7
[M+NH4]+ 256.129173 166.4
[M+K]+ 277.058508 150.1
[M+H-H2O]+ 221.092610 148.6
[M+HCOO]- 283.093551 169.7
[M+CH3COO]- 297.109201 178.3
[M+Na-2H]- 259.070016 157.0
[M]+ 238.09480142 146.2
[M]- 238.09589858 146.2
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

No patent data available for this compound.