CID 164185783

3-bromo-4h,5h,6h-pyrrolo[1,2-c][1,2,3]triazole

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1CC2=C(N=NN2C1)Br
InChI
InChI=1S/C5H6BrN3/c6-5-4-2-1-3-9(4)8-7-5/h1-3H2
InChIKey
JUHCCWQNBZNESR-UHFFFAOYSA-N
Compound name
3-bromo-5,6-dihydro-4H-pyrrolo[1,2-c]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.9745 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.981776 131.3
[M+Na]+ 209.963718 145.2
[M-H]- 185.967224 135.4
[M+NH4]+ 205.008323 155.5
[M+K]+ 225.937658 135.9
[M+H-H2O]+ 169.971760 130.9
[M+HCOO]- 231.972701 151.4
[M+CH3COO]- 245.988351 147.3
[M+Na-2H]- 207.949166 138.6
[M]+ 186.97395142 149.4
[M]- 186.97504858 149.4
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.