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]+ 258.023636 153.4
[M+Na]+ 280.005578 166.2
[M-H]- 256.009084 162.2
[M+NH4]+ 275.050183 169.1
[M+K]+ 295.979518 155.1
[M+H-H2O]+ 240.013620 151.2
[M+HCOO]- 302.014561 175.1
[M+CH3COO]- 316.030211 198.2
[M+Na-2H]- 277.991026 158.1
[M]+ 257.01581142 174.5
[M]- 257.01690858 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.