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 153.4
[M+Na]+ 280.00558 166.2
[M-H]- 256.00908 162.2
[M+NH4]+ 275.05018 169.1
[M+K]+ 295.97952 155.1
[M+H-H2O]+ 240.01362 151.2
[M+HCOO]- 302.01456 175.1
[M+CH3COO]- 316.03021 198.2
[M+Na-2H]- 277.99103 158.1
[M]+ 257.01581 174.5
[M]- 257.01691 174.5
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.