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]+ 166.086256 132.4
[M+Na]+ 188.068198 142.3
[M-H]- 164.071704 134.3
[M+NH4]+ 183.112803 151.8
[M+K]+ 204.042138 140.3
[M+H-H2O]+ 148.076240 126.8
[M+HCOO]- 210.077181 153.9
[M+CH3COO]- 224.092831 178.8
[M+Na-2H]- 186.053646 136.9
[M]+ 165.07843142 133.7
[M]- 165.07952858 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