CID 61071655

1291797-86-8

Structural Information

Molecular Formula

C₇H₁₁BrN₂O₂

SMILES

C1=C(C=NN1CCOCCO)Br

InChI

InChI=1S/C7H11BrN2O2/c8-7-5-9-10(6-7)1-3-12-4-2-11/h5-6,11H,1-4H2

InChIKey

YNOGKDMQKJUCJP-UHFFFAOYSA-N

Compound name

2-[2-(4-bromopyrazol-1-yl)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 234.0004 Da
Monoisotopic Mass: 0.0
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]+	235.007676	141.6
[M+Na]+	256.989618	153.5
[M-H]-	232.993124	144.2
[M+NH4]+	252.034223	161.8
[M+K]+	272.963558	143.1
[M+H-H2O]+	216.997660	140.7
[M+HCOO]-	278.998601	161.6
[M+CH3COO]-	293.014251	183.8
[M+Na-2H]-	254.975066	148.4
[M]+	233.99985142	162.3
[M]-	234.00094858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe