CID 61035424

1-(4-bromo-1h-pyrazol-1-yl)-2-methylpropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

218.00548 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe