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

66
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 140.9
[M+Na]+ 246.03729 149.3
[M-H]- 222.04079 149.3
[M+NH4]+ 241.08189 152.2
[M+K]+ 262.01123 144.5
[M+H-H2O]+ 206.04533 138.4
[M+HCOO]- 268.04627 165.4
[M+CH3COO]- 282.06192 184.1
[M+Na-2H]- 244.02274 149.4
[M]+ 223.04752 144.8
[M]- 223.04862 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