CID 115017425

5-bromo-1-cyclopropyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1CC1N2C(=CN=N2)Br
InChI
InChI=1S/C5H6BrN3/c6-5-3-7-8-9(5)4-1-2-4/h3-4H,1-2H2
InChIKey
QICNFTQYPGBMAE-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclopropyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.9745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 137.1
[M+Na]+ 209.96372 152.5
[M-H]- 185.96722 143.8
[M+NH4]+ 205.00832 154.0
[M+K]+ 225.93766 141.2
[M+H-H2O]+ 169.97176 135.5
[M+HCOO]- 231.97270 158.1
[M+CH3COO]- 245.98835 152.4
[M+Na-2H]- 207.94917 144.9
[M]+ 186.97395 156.8
[M]- 186.97505 156.8
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.