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]+ 239.10263 150.1
[M+Na]+ 261.08457 156.1
[M-H]- 237.08807 153.7
[M+NH4]+ 256.12917 166.4
[M+K]+ 277.05851 150.1
[M+H-H2O]+ 221.09261 148.6
[M+HCOO]- 283.09355 169.7
[M+CH3COO]- 297.10920 178.3
[M+Na-2H]- 259.07002 157.0
[M]+ 238.09480 146.2
[M]- 238.09590 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.