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

5
Patents

190.08546 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 139.2
[M+Na]+ 213.074678 147.5
[M-H]- 189.078184 139.1
[M+NH4]+ 208.119283 153.9
[M+K]+ 229.048618 144.0
[M+H-H2O]+ 173.082720 129.4
[M+HCOO]- 235.083661 159.3
[M+CH3COO]- 249.099311 151.0
[M+Na-2H]- 211.060126 146.7
[M]+ 190.08491142 138.8
[M]- 190.08600858 138.8
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