CID 58418097

945463-99-0

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCC1=NC(=CC(=C1)C(=O)O)C
InChI
InChI=1S/C9H11NO2/c1-3-8-5-7(9(11)12)4-6(2)10-8/h4-5H,3H2,1-2H3,(H,11,12)
InChIKey
PFWSVUBVEHQQOK-UHFFFAOYSA-N
Compound name
2-ethyl-6-methylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 142.1
[M-H]- 164.071704 134.7
[M+NH4]+ 183.112803 152.3
[M+K]+ 204.042138 140.1
[M+H-H2O]+ 148.076240 127.3
[M+HCOO]- 210.077181 154.6
[M+CH3COO]- 224.092831 177.6
[M+Na-2H]- 186.053646 138.4
[M]+ 165.07843142 134.1
[M]- 165.07952858 134.1
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