CID 21327

5255-75-4

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2
InChIKey
FPIGOBKNDYAZTP-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

67
References

737
Patents

195.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 142.7
[M+Na]+ 218.04238 157.6
[M+NH4]+ 213.08698 151.6
[M+K]+ 234.01632 155.6
[M-H]- 194.04588 155.0
[M+Na-2H]- 216.02783 152.0
[M]+ 195.05261 149.4
[M]- 195.05371 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe