CID 386501

Nsc678871

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
CC1=NN2C=CC(=CC2=C1Br)OC(=O)C
InChI
InChI=1S/C10H9BrN2O2/c1-6-10(11)9-5-8(15-7(2)14)3-4-13(9)12-6/h3-5H,1-2H3
InChIKey
WGVHINMJCOFEOF-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99202 147.9
[M+Na]+ 290.97396 162.8
[M-H]- 266.97746 153.8
[M+NH4]+ 286.01856 169.0
[M+K]+ 306.94790 152.2
[M+H-H2O]+ 250.98200 147.6
[M+HCOO]- 312.98294 168.9
[M+CH3COO]- 326.99859 193.4
[M+Na-2H]- 288.95941 154.9
[M]+ 267.98419 171.2
[M]- 267.98529 171.2
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.