CID 3059153

76167-90-3

Structural Information

Molecular Formula
C9H9N5O3
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCC2=NNN=N2
InChI
InChI=1S/C9H9N5O3/c15-14(16)7-3-1-2-4-8(7)17-6-5-9-10-12-13-11-9/h1-4H,5-6H2,(H,10,11,12,13)
InChIKey
RJQWLLRAEQUATL-UHFFFAOYSA-N
Compound name
5-[2-(2-nitrophenoxy)ethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07054 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07782 146.3
[M+Na]+ 258.05976 159.0
[M+NH4]+ 253.10436 151.9
[M+K]+ 274.03370 158.7
[M-H]- 234.06326 147.7
[M+Na-2H]- 256.04521 153.2
[M]+ 235.06999 148.0
[M]- 235.07109 148.0
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.