CID 83867654

1781693-09-1

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
C1CN2C(=CN=C2Br)CC1CC(=O)O
InChI
InChI=1S/C9H11BrN2O2/c10-9-11-5-7-3-6(4-8(13)14)1-2-12(7)9/h5-6H,1-4H2,(H,13,14)
InChIKey
JTHWHWCHRFODNW-UHFFFAOYSA-N
Compound name
2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 152.9
[M+Na]+ 280.98962 154.0
[M+NH4]+ 276.03422 156.6
[M+K]+ 296.96356 156.4
[M-H]- 256.99312 151.1
[M+Na-2H]- 278.97507 152.7
[M]+ 257.99985 151.1
[M]- 258.00095 151.1
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.