CID 60582948

2-(4-bromo-1h-pyrazol-1-yl)-n-cyclopropyl-n-methylacetamide

Structural Information

Molecular Formula
C9H12BrN3O
SMILES
CN(C1CC1)C(=O)CN2C=C(C=N2)Br
InChI
InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
InChIKey
WFHPYRQFVJBTSS-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.01636 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02364 144.8
[M+Na]+ 280.00558 147.6
[M+NH4]+ 275.05018 149.2
[M+K]+ 295.97952 151.3
[M-H]- 256.00908 150.9
[M+Na-2H]- 277.99103 149.9
[M]+ 257.01581 146.5
[M]- 257.01691 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.