CID 10797909

154586-80-8

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC(=O)C1=NC=C(C=C1)CC(=O)O
InChI
InChI=1S/C9H9NO4/c1-14-9(13)7-3-2-6(5-10-7)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey
XWJOLQAIRZCNNT-UHFFFAOYSA-N
Compound name
2-(6-methoxycarbonylpyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.4
[M+Na]+ 218.04238 146.3
[M-H]- 194.04588 139.7
[M+NH4]+ 213.08698 155.7
[M+K]+ 234.01632 145.3
[M+H-H2O]+ 178.05042 132.0
[M+HCOO]- 240.05136 159.6
[M+CH3COO]- 254.06701 180.0
[M+Na-2H]- 216.02783 143.2
[M]+ 195.05261 140.4
[M]- 195.05371 140.4
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

patents stripe