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

9
Patents

234.0004 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00768 141.6
[M+Na]+ 256.98962 153.5
[M-H]- 232.99312 144.2
[M+NH4]+ 252.03422 161.8
[M+K]+ 272.96356 143.1
[M+H-H2O]+ 216.99766 140.7
[M+HCOO]- 278.99860 161.6
[M+CH3COO]- 293.01425 183.8
[M+Na-2H]- 254.97507 148.4
[M]+ 233.99985 162.3
[M]- 234.00095 162.3
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

patents stripe