CID 745901

113392-38-4

Structural Information

Molecular Formula
C11H9N5
SMILES
CC1=CC(=NC2=NN=NN12)C3=CC=CC=C3
InChI
InChI=1S/C11H9N5/c1-8-7-10(9-5-3-2-4-6-9)12-11-13-14-15-16(8)11/h2-7H,1H3
InChIKey
BGHJBNXSXOFICP-UHFFFAOYSA-N
Compound name
7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

211.0858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 145.9
[M+Na]+ 234.075018 158.3
[M-H]- 210.078524 147.8
[M+NH4]+ 229.119623 160.7
[M+K]+ 250.048958 152.9
[M+H-H2O]+ 194.083060 135.5
[M+HCOO]- 256.084001 166.3
[M+CH3COO]- 270.099651 158.6
[M+Na-2H]- 232.060466 154.9
[M]+ 211.08525142 148.1
[M]- 211.08634858 148.1
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