CID 114662420

2-(4-bromo-1-ethyl-1h-pyrazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H11BrN2O
SMILES
CCN1C(=C(C=N1)Br)CCO
InChI
InChI=1S/C7H11BrN2O/c1-2-10-7(3-4-11)6(8)5-9-10/h5,11H,2-4H2,1H3
InChIKey
QTEDOILNHSBDCS-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-ethylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.0
[M+Na]+ 240.99470 151.9
[M-H]- 216.99820 142.0
[M+NH4]+ 236.03930 160.2
[M+K]+ 256.96864 141.0
[M+H-H2O]+ 201.00274 138.6
[M+HCOO]- 263.00368 158.8
[M+CH3COO]- 277.01933 183.0
[M+Na-2H]- 238.98015 145.1
[M]+ 218.00493 158.7
[M]- 218.00603 158.7
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.