CID 52982830

2219373-97-2

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=C(C=N1)C)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-5-4-9-6(2)3-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKey
CADZSRNNJKOKIR-UHFFFAOYSA-N
Compound name
2,5-dimethylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.5
[M+Na]+ 174.05254 137.8
[M-H]- 150.05604 130.2
[M+NH4]+ 169.09714 148.1
[M+K]+ 190.02648 136.1
[M+H-H2O]+ 134.06058 122.8
[M+HCOO]- 196.06152 150.3
[M+CH3COO]- 210.07717 174.6
[M+Na-2H]- 172.03799 134.3
[M]+ 151.06277 129.0
[M]- 151.06387 129.0
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