CID 67439956

2044712-79-8

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CNC(C2=C1OC=C2)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)7-5-2-4-12-6(5)1-3-9-7/h2,4,7,9H,1,3H2,(H,10,11)
InChIKey
IWSCAMUFDQSURA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrofuro[3,2-c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.05824 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.4
[M+Na]+ 190.04746 139.5
[M-H]- 166.05096 133.3
[M+NH4]+ 185.09206 151.5
[M+K]+ 206.02140 138.1
[M+H-H2O]+ 150.05550 127.0
[M+HCOO]- 212.05644 149.6
[M+CH3COO]- 226.07209 171.2
[M+Na-2H]- 188.03291 137.8
[M]+ 167.05769 129.4
[M]- 167.05879 129.4
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