CID 83680756

Lithium(1+) ion 2-(4-cyanopyridin-2-yl)acetate

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CN=C(C=C1C#N)CC(=O)O
InChI
InChI=1S/C8H6N2O2/c9-5-6-1-2-10-7(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
FNFIWFYCJMMAKW-UHFFFAOYSA-N
Compound name
2-(4-cyanopyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04292 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 132.6
[M+Na]+ 185.03214 142.5
[M-H]- 161.03564 133.4
[M+NH4]+ 180.07674 149.2
[M+K]+ 201.00608 140.0
[M+H-H2O]+ 145.04018 119.7
[M+HCOO]- 207.04112 150.8
[M+CH3COO]- 221.05677 187.6
[M+Na-2H]- 183.01759 138.4
[M]+ 162.04237 127.4
[M]- 162.04347 127.4
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.