CID 50988940

2-(4-bromo-1h-pyrazol-1-yl)-n,n-dimethylacetamide

Structural Information

Molecular Formula
C7H10BrN3O
SMILES
CN(C)C(=O)CN1C=C(C=N1)Br
InChI
InChI=1S/C7H10BrN3O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5H2,1-2H3
InChIKey
YFVQBJPNNRSACN-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.00072 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00800 141.1
[M+Na]+ 253.98994 152.8
[M-H]- 229.99344 146.5
[M+NH4]+ 249.03454 162.3
[M+K]+ 269.96388 143.7
[M+H-H2O]+ 213.99798 139.4
[M+HCOO]- 275.99892 163.0
[M+CH3COO]- 290.01457 191.4
[M+Na-2H]- 251.97539 146.9
[M]+ 231.00017 161.3
[M]- 231.00127 161.3
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

patents stripe