CID 165363159

Dtxsid401024784

Structural Information

Molecular Formula
C9H12BrN3O
SMILES
CC(C1CC1)NC(=O)C2=NNC(=C2)Br
InChI
InChI=1S/C9H12BrN3O/c1-5(6-2-3-6)11-9(14)7-4-8(10)13-12-7/h4-6H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKey
BRCQANAVZZZPHV-UHFFFAOYSA-N
Compound name
5-bromo-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.01636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.023636 151.9
[M+Na]+ 280.005578 163.8
[M-H]- 256.009084 158.2
[M+NH4]+ 275.050183 166.2
[M+K]+ 295.979518 150.9
[M+H-H2O]+ 240.013620 150.0
[M+HCOO]- 302.014561 170.9
[M+CH3COO]- 316.030211 193.7
[M+Na-2H]- 277.991026 155.9
[M]+ 257.01581142 169.6
[M]- 257.01690858 169.6
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

No patent data available for this compound.