CID 601291

5-(3,4-dimethoxyphenyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H10N4O2
SMILES
COC1=C(C=C(C=C1)C2=NNN=N2)OC
InChI
InChI=1S/C9H10N4O2/c1-14-7-4-3-6(5-8(7)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKey
WMRZMZRQOCOXLD-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

209
Patents

206.08037 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 143.1
[M+Na]+ 229.069588 153.1
[M-H]- 205.073094 143.9
[M+NH4]+ 224.114193 157.7
[M+K]+ 245.043528 150.0
[M+H-H2O]+ 189.077630 133.8
[M+HCOO]- 251.078571 163.4
[M+CH3COO]- 265.094221 181.9
[M+Na-2H]- 227.055036 149.1
[M]+ 206.07982142 144.9
[M]- 206.08091858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe