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

1
Patents

201.10011 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 144.5
[M+Na]+ 224.08933 148.9
[M-H]- 200.09283 143.2
[M+NH4]+ 219.13393 160.5
[M+K]+ 240.06327 147.6
[M+H-H2O]+ 184.09737 138.4
[M+HCOO]- 246.09831 159.7
[M+CH3COO]- 260.11396 178.7
[M+Na-2H]- 222.07478 145.7
[M]+ 201.09956 140.3
[M]- 201.10066 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