CID 3059151

76167-87-8

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=CC=CC=C1OCCC2=NNN=N2
InChI
InChI=1S/C10H12N4O/c1-8-4-2-3-5-9(8)15-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14)
InChIKey
MDUUFIVWPPVKGL-UHFFFAOYSA-N
Compound name
5-[2-(2-methylphenoxy)ethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 144.3
[M+Na]+ 227.090318 153.1
[M-H]- 203.093824 144.4
[M+NH4]+ 222.134923 158.8
[M+K]+ 243.064258 149.3
[M+H-H2O]+ 187.098360 134.6
[M+HCOO]- 249.099301 164.1
[M+CH3COO]- 263.114951 156.0
[M+Na-2H]- 225.075766 150.5
[M]+ 204.10055142 144.6
[M]- 204.10164858 144.6
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.