CID 21766424

16681-80-4

Structural Information

Molecular Formula
C2H3BrN4
SMILES
CN1N=C(N=N1)Br
InChI
InChI=1S/C2H3BrN4/c1-7-5-2(3)4-6-7/h1H3
InChIKey
FTCJTCRPKDANII-UHFFFAOYSA-N
Compound name
5-bromo-2-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

161.95412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.96140 118.6
[M+Na]+ 184.94334 133.4
[M-H]- 160.94684 120.7
[M+NH4]+ 179.98794 139.9
[M+K]+ 200.91728 124.2
[M+H-H2O]+ 144.95138 117.7
[M+HCOO]- 206.95232 139.0
[M+CH3COO]- 220.96797 174.1
[M+Na-2H]- 182.92879 128.6
[M]+ 161.95357 137.8
[M]- 161.95467 137.9
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