CID 57357510

Aldosine

Structural Information

Molecular Formula
C12H18N2O4
SMILES
C1CC(NC(C1)C(=O)O)C2=CNC(CC2)C(=O)O
InChI
InChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18)
InChIKey
FZNMMFIPIGBAJL-UHFFFAOYSA-N
Compound name
5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

254.12666 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 159.4
[M+Na]+ 277.115878 161.6
[M-H]- 253.119384 156.6
[M+NH4]+ 272.160483 169.9
[M+K]+ 293.089818 157.6
[M+H-H2O]+ 237.123920 151.8
[M+HCOO]- 299.124861 167.6
[M+CH3COO]- 313.140511 184.8
[M+Na-2H]- 275.101326 158.0
[M]+ 254.12611142 148.2
[M]- 254.12720858 148.2
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