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
2
Annotation Hits

0
References

53
Patents

223.04807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 140.9
[M+Na]+ 246.037288 149.3
[M-H]- 222.040794 149.3
[M+NH4]+ 241.081893 152.2
[M+K]+ 262.011228 144.5
[M+H-H2O]+ 206.045330 138.4
[M+HCOO]- 268.046271 165.4
[M+CH3COO]- 282.061921 184.1
[M+Na-2H]- 244.022736 149.4
[M]+ 223.04752142 144.8
[M]- 223.04861858 144.8
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