CID 86019884

82049-79-4

Structural Information

Molecular Formula
C3H5BrN4
SMILES
C(CBr)C1=NNN=N1
InChI
InChI=1S/C3H5BrN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChIKey
IUORGRIVAYGYGM-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

175.96976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97704 124.3
[M+Na]+ 198.95898 137.2
[M-H]- 174.96248 124.5
[M+NH4]+ 194.00358 144.0
[M+K]+ 214.93292 127.0
[M+H-H2O]+ 158.96702 123.0
[M+HCOO]- 220.96796 142.8
[M+CH3COO]- 234.98361 173.4
[M+Na-2H]- 196.94443 133.9
[M]+ 175.96921 141.7
[M]- 175.97031 141.7
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

patents stripe