CID 130138844

4-bromo-1-(oxan-4-yl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C7H10BrN3O
SMILES
C1COCCC1N2C=C(N=N2)Br
InChI
InChI=1S/C7H10BrN3O/c8-7-5-11(10-9-7)6-1-3-12-4-2-6/h5-6H,1-4H2
InChIKey
IKIVSGOVKDSXHR-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxan-4-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00072 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00800 141.3
[M+Na]+ 253.98994 152.0
[M-H]- 229.99344 146.9
[M+NH4]+ 249.03454 159.3
[M+K]+ 269.96388 143.4
[M+H-H2O]+ 213.99798 139.8
[M+HCOO]- 275.99892 157.9
[M+CH3COO]- 290.01457 155.5
[M+Na-2H]- 251.97539 148.3
[M]+ 231.00017 157.4
[M]- 231.00127 157.4
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.