CID 72213712

Lithium(1+) 2-(5,6-dimethylpyridin-2-yl)acetate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(N=C(C=C1)CC(=O)O)C
InChI
InChI=1S/C9H11NO2/c1-6-3-4-8(5-9(11)12)10-7(6)2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
MELFZVIGNUBSRW-UHFFFAOYSA-N
Compound name
2-(5,6-dimethylpyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.2
[M+Na]+ 188.06820 142.1
[M-H]- 164.07170 134.7
[M+NH4]+ 183.11280 152.3
[M+K]+ 204.04214 140.1
[M+H-H2O]+ 148.07624 127.3
[M+HCOO]- 210.07718 154.6
[M+CH3COO]- 224.09283 177.6
[M+Na-2H]- 186.05365 138.4
[M]+ 165.07843 134.1
[M]- 165.07953 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

No patent data available for this compound.