CID 165770787

2803863-04-7

Structural Information

Molecular Formula
C5H7BrN4
SMILES
C1C(CN1)N2C(=NC=N2)Br
InChI
InChI=1S/C5H7BrN4/c6-5-8-3-9-10(5)4-1-7-2-4/h3-4,7H,1-2H2
InChIKey
GRLPYOITIXLTRI-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-5-bromo-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.98541 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99269 123.8
[M+Na]+ 224.97463 135.1
[M-H]- 200.97813 126.9
[M+NH4]+ 220.01923 136.7
[M+K]+ 240.94857 127.6
[M+H-H2O]+ 184.98267 117.9
[M+HCOO]- 246.98361 140.4
[M+CH3COO]- 260.99926 181.6
[M+Na-2H]- 222.96008 131.8
[M]+ 201.98486 147.2
[M]- 201.98596 147.2
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

No patent data available for this compound.