CID 83867914

1784106-09-7

Structural Information

Molecular Formula
C7H8BrN3O2
SMILES
C1CC2=NN=C(N2CC1C(=O)O)Br
InChI
InChI=1S/C7H8BrN3O2/c8-7-10-9-5-2-1-4(6(12)13)3-11(5)7/h4H,1-3H2,(H,12,13)
InChIKey
FFECKJDVIUQCDD-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98728 143.5
[M+Na]+ 267.96922 155.5
[M-H]- 243.97272 145.8
[M+NH4]+ 263.01382 162.9
[M+K]+ 283.94316 145.1
[M+H-H2O]+ 227.97726 142.9
[M+HCOO]- 289.97820 158.8
[M+CH3COO]- 303.99385 185.8
[M+Na-2H]- 265.95467 149.3
[M]+ 244.97945 160.2
[M]- 244.98055 160.2
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.