CID 61732723

1251118-58-7

Structural Information

Molecular Formula
C8H14BrN3
SMILES
CC1=NN(C(=C1Br)N)C(C)(C)C
InChI
InChI=1S/C8H14BrN3/c1-5-6(9)7(10)12(11-5)8(2,3)4/h10H2,1-4H3
InChIKey
MWEVZBZPEFPREU-UHFFFAOYSA-N
Compound name
4-bromo-2-tert-butyl-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.03711 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04439 145.9
[M+Na]+ 254.02633 159.3
[M-H]- 230.02983 150.2
[M+NH4]+ 249.07093 167.2
[M+K]+ 270.00027 148.1
[M+H-H2O]+ 214.03437 145.3
[M+HCOO]- 276.03531 165.4
[M+CH3COO]- 290.05096 191.0
[M+Na-2H]- 252.01178 151.1
[M]+ 231.03656 164.4
[M]- 231.03766 164.4
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.