CID 3054064

70786-37-7

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=CC=C(C=C1)OCCC2=NNN=N2
InChI
InChI=1S/C10H12N4O/c1-8-2-4-9(5-3-8)15-7-6-10-11-13-14-12-10/h2-5H,6-7H2,1H3,(H,11,12,13,14)
InChIKey
ZSUXPCORQILLMJ-UHFFFAOYSA-N
Compound name
5-[2-(4-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]+ 205.10838 144.3
[M+Na]+ 227.09032 153.1
[M-H]- 203.09382 144.4
[M+NH4]+ 222.13492 158.8
[M+K]+ 243.06426 149.3
[M+H-H2O]+ 187.09836 134.6
[M+HCOO]- 249.09930 164.1
[M+CH3COO]- 263.11495 156.0
[M+Na-2H]- 225.07577 150.5
[M]+ 204.10055 144.6
[M]- 204.10165 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.