CID 16783651

4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid

Structural Information

Molecular Formula
C9H15NO4
SMILES
C1CN(CCC1O)C(=O)CCC(=O)O
InChI
InChI=1S/C9H15NO4/c11-7-3-5-10(6-4-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)
InChIKey
REGMPDHPYKTLDU-UHFFFAOYSA-N
Compound name
4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.10011 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 144.5
[M+Na]+ 224.089328 148.9
[M-H]- 200.092834 143.2
[M+NH4]+ 219.133933 160.5
[M+K]+ 240.063268 147.6
[M+H-H2O]+ 184.097370 138.4
[M+HCOO]- 246.098311 159.7
[M+CH3COO]- 260.113961 178.7
[M+Na-2H]- 222.074776 145.7
[M]+ 201.09956142 140.3
[M]- 201.10065858 140.3
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