CID 12797446

16681-79-1

Structural Information

Molecular Formula
C2H3BrN4
SMILES
CN1C(=NN=N1)Br
InChI
InChI=1S/C2H3BrN4/c1-7-2(3)4-5-6-7/h1H3
InChIKey
MPEZKCXHVQSKLO-UHFFFAOYSA-N
Compound name
5-bromo-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

161.95412 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.961396 118.6
[M+Na]+ 184.943338 133.4
[M-H]- 160.946844 120.7
[M+NH4]+ 179.987943 139.9
[M+K]+ 200.917278 124.2
[M+H-H2O]+ 144.951380 117.7
[M+HCOO]- 206.952321 139.0
[M+CH3COO]- 220.967971 174.1
[M+Na-2H]- 182.928786 128.6
[M]+ 161.95357142 137.8
[M]- 161.95466858 137.8
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