CID 53484307

1-(azetidin-3-yl)-4-bromo-1h-pyrazole hydrochloride

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

24
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 124.9
[M+Na]+ 223.979378 135.8
[M-H]- 199.982884 129.3
[M+NH4]+ 219.023983 139.1
[M+K]+ 239.953318 128.2
[M+H-H2O]+ 183.987420 119.5
[M+HCOO]- 245.988361 142.5
[M+CH3COO]- 260.004011 181.6
[M+Na-2H]- 221.964826 132.5
[M]+ 200.98961142 148.3
[M]- 200.99070858 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