CID 165992029

1-(5-bromo-1h-pyrazol-1-yl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C7H11BrN2O
SMILES
CC(C)(CN1C(=CC=N1)Br)O
InChI
InChI=1S/C7H11BrN2O/c1-7(2,11)5-10-6(8)3-4-9-10/h3-4,11H,5H2,1-2H3
InChIKey
CHWKOSVEUJXQNO-UHFFFAOYSA-N
Compound name
1-(5-bromopyrazol-1-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.00548 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.012756 141.2
[M+Na]+ 240.994698 153.6
[M-H]- 216.998204 144.2
[M+NH4]+ 236.039303 162.2
[M+K]+ 256.968638 143.1
[M+H-H2O]+ 201.002740 141.2
[M+HCOO]- 263.003681 159.5
[M+CH3COO]- 277.019331 182.2
[M+Na-2H]- 238.980146 148.5
[M]+ 218.00493142 160.1
[M]- 218.00602858 160.1
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.