CID 53484307

1201657-76-2

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1C(CN1)N2C=C(C=N2)Br
InChI
InChI=1S/C6H8BrN3/c7-5-1-9-10(4-5)6-2-8-3-6/h1,4,6,8H,2-3H2
InChIKey
XCEDZMPWILCKMH-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-4-bromopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 137.7
[M+Na]+ 223.97938 136.4
[M+NH4]+ 219.02398 138.6
[M+K]+ 239.95332 139.9
[M-H]- 199.98288 134.9
[M+Na-2H]- 221.96483 138.5
[M]+ 200.98961 134.4
[M]- 200.99071 134.4
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

patents stripe