CID 3054063

Brn 1127540

Structural Information

Molecular Formula
C10H12N4O2
SMILES
COC1=CC=C(C=C1)OCCC2=NNN=N2
InChI
InChI=1S/C10H12N4O2/c1-15-8-2-4-9(5-3-8)16-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14)
InChIKey
LAGKTEOOCCTUBB-UHFFFAOYSA-N
Compound name
5-[2-(4-methoxyphenoxy)ethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 146.9
[M+Na]+ 243.08524 155.5
[M-H]- 219.08874 147.1
[M+NH4]+ 238.12984 160.6
[M+K]+ 259.05918 152.2
[M+H-H2O]+ 203.09328 137.1
[M+HCOO]- 265.09422 166.9
[M+CH3COO]- 279.10987 183.8
[M+Na-2H]- 241.07069 153.1
[M]+ 220.09547 148.6
[M]- 220.09657 148.6
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.