CID 14799550

116882-98-5

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CN=CC=C1COCC(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)6-12-5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,11)
InChIKey
NHAFAQKGBMCEPF-UHFFFAOYSA-N
Compound name
2-(pyridin-4-ylmethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

167.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.7
[M+Na]+ 190.04746 140.0
[M-H]- 166.05096 133.5
[M+NH4]+ 185.09206 150.9
[M+K]+ 206.02140 138.7
[M+H-H2O]+ 150.05550 126.1
[M+HCOO]- 212.05644 154.7
[M+CH3COO]- 226.07209 174.3
[M+Na-2H]- 188.03291 139.8
[M]+ 167.05769 133.8
[M]- 167.05879 133.8
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