CID 146568

115459-65-9

Structural Information

Molecular Formula
C10H9NO5
SMILES
C1[C@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9NO5/c12-10(16-6-9-5-15-9)7-1-3-8(4-2-7)11(13)14/h1-4,9H,5-6H2/t9-/m0/s1
InChIKey
MUWIANZPEBMVHH-VIFPVBQESA-N
Compound name
[(2S)-oxiran-2-yl]methyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

223.04807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 149.6
[M+Na]+ 246.03729 163.5
[M+NH4]+ 241.08189 157.3
[M+K]+ 262.01123 162.5
[M-H]- 222.04079 161.0
[M+Na-2H]- 244.02274 157.7
[M]+ 223.04752 155.7
[M]- 223.04862 155.7
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