CID 54593208

1251100-41-0

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CN(C)C1=C(C=C(C=N1)Br)C(=O)O
InChI
InChI=1S/C8H9BrN2O2/c1-11(2)7-6(8(12)13)3-5(9)4-10-7/h3-4H,1-2H3,(H,12,13)
InChIKey
WSVUADXXEYJFRX-UHFFFAOYSA-N
Compound name
5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

243.98474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 141.3
[M+Na]+ 266.97396 152.6
[M-H]- 242.97746 146.7
[M+NH4]+ 262.01856 160.9
[M+K]+ 282.94790 142.7
[M+H-H2O]+ 226.98200 140.2
[M+HCOO]- 288.98294 161.9
[M+CH3COO]- 302.99859 192.8
[M+Na-2H]- 264.95941 147.6
[M]+ 243.98419 160.6
[M]- 243.98529 160.6
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