CID 127439

Sodium 1,4,5,6-tetrahydropyridine-2-carboxylate

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC=C(NC1)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h3,7H,1-2,4H2,(H,8,9)
InChIKey
SYHALQNMKJVYAZ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydropyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

95
Patents

127.06333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.5
[M+Na]+ 150.05255 135.6
[M+NH4]+ 145.09715 133.0
[M+K]+ 166.02649 131.2
[M-H]- 126.05605 125.2
[M+Na-2H]- 148.03800 130.1
[M]+ 127.06278 126.4
[M]- 127.06388 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe