CID 3054062

5-(2-phenoxyethyl)-1h-tetrazole

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1=CC=C(C=C1)OCCC2=NNN=N2
InChI
InChI=1S/C9H10N4O/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)
InChIKey
IIBLVCJHTPHJKY-UHFFFAOYSA-N
Compound name
5-(2-phenoxyethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.08546 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 140.5
[M+Na]+ 213.07468 153.4
[M+NH4]+ 208.11928 147.3
[M+K]+ 229.04862 149.1
[M-H]- 189.07818 141.2
[M+Na-2H]- 211.06013 148.7
[M]+ 190.08491 142.3
[M]- 190.08601 142.3
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