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]+ 258.02364 151.9
[M+Na]+ 280.00558 163.8
[M-H]- 256.00908 158.2
[M+NH4]+ 275.05018 166.2
[M+K]+ 295.97952 150.9
[M+H-H2O]+ 240.01362 150.0
[M+HCOO]- 302.01456 170.9
[M+CH3COO]- 316.03021 193.7
[M+Na-2H]- 277.99103 155.9
[M]+ 257.01581 169.6
[M]- 257.01691 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.