CID 53922379

2,5,6-trimethylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC(=C(N=C1C)C)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-5-4-8(9(11)12)7(3)10-6(5)2/h4H,1-3H3,(H,11,12)
InChIKey
ILJQBLMFUBRXRX-UHFFFAOYSA-N
Compound name
2,5,6-trimethylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.4
[M+Na]+ 188.06820 142.3
[M-H]- 164.07170 134.3
[M+NH4]+ 183.11280 151.8
[M+K]+ 204.04214 140.3
[M+H-H2O]+ 148.07624 126.8
[M+HCOO]- 210.07718 153.9
[M+CH3COO]- 224.09283 178.8
[M+Na-2H]- 186.05365 136.9
[M]+ 165.07843 133.7
[M]- 165.07953 133.7
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