CID 137965668

1-(2-hydroxyethyl)-2-oxopiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
C1CN(C(=O)CC1C(=O)O)CCO
InChI
InChI=1S/C8H13NO4/c10-4-3-9-2-1-6(8(12)13)5-7(9)11/h6,10H,1-5H2,(H,12,13)
InChIKey
KSJYGGZCJNKASJ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-2-oxopiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 139.3
[M+Na]+ 210.073678 145.2
[M-H]- 186.077184 138.4
[M+NH4]+ 205.118283 156.2
[M+K]+ 226.047618 143.7
[M+H-H2O]+ 170.081720 133.5
[M+HCOO]- 232.082661 155.7
[M+CH3COO]- 246.098311 176.7
[M+Na-2H]- 208.059126 141.5
[M]+ 187.08391142 135.8
[M]- 187.08500858 135.8
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

No patent data available for this compound.