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]+ 219.01276 141.2
[M+Na]+ 240.99470 153.6
[M-H]- 216.99820 144.2
[M+NH4]+ 236.03930 162.2
[M+K]+ 256.96864 143.1
[M+H-H2O]+ 201.00274 141.2
[M+HCOO]- 263.00368 159.5
[M+CH3COO]- 277.01933 182.2
[M+Na-2H]- 238.98015 148.5
[M]+ 218.00493 160.1
[M]- 218.00603 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.