CID 3051659

3-methyl-2-(3-nitrophenyl)-1,3-oxazolidine

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CN1CCOC1C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-11-5-6-15-10(11)8-3-2-4-9(7-8)12(13)14/h2-4,7,10H,5-6H2,1H3
InChIKey
HZWUIHZZHSYTLM-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-nitrophenyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.8
[M+Na]+ 231.074018 150.3
[M-H]- 207.077524 150.0
[M+NH4]+ 226.118623 160.8
[M+K]+ 247.047958 145.6
[M+H-H2O]+ 191.082060 141.3
[M+HCOO]- 253.083001 166.5
[M+CH3COO]- 267.098651 179.0
[M+Na-2H]- 229.059466 150.4
[M]+ 208.08425142 141.4
[M]- 208.08534858 141.4
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.