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 124.9
[M+Na]+ 223.97938 135.8
[M-H]- 199.98288 129.3
[M+NH4]+ 219.02398 139.1
[M+K]+ 239.95332 128.2
[M+H-H2O]+ 183.98742 119.5
[M+HCOO]- 245.98836 142.5
[M+CH3COO]- 260.00401 181.6
[M+Na-2H]- 221.96483 132.5
[M]+ 200.98961 148.3
[M]- 200.99071 148.3
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