CID 19619764

652982-93-9

Structural Information

Molecular Formula

C₇H₁₁BrN₂O

SMILES

CC1=C(C(=NN1CCO)C)Br

InChI

InChI=1S/C7H11BrN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3

InChIKey

CUUAPMBWZYSQSB-UHFFFAOYSA-N

Compound name

2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.00548 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.012756	138.5
[M+Na]+	240.994698	152.3
[M-H]-	216.998204	141.9
[M+NH4]+	236.039303	160.1
[M+K]+	256.968638	141.4
[M+H-H2O]+	201.002740	138.4
[M+HCOO]-	263.003681	158.3
[M+CH3COO]-	277.019331	184.0
[M+Na-2H]-	238.980146	144.0
[M]+	218.00493142	158.6
[M]-	218.00602858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe