CID 14507691

2-(6-oxopiperidin-2-yl)acetic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CC(NC(=O)C1)CC(=O)O
InChI
InChI=1S/C7H11NO3/c9-6-3-1-2-5(8-6)4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKey
GQAFTUMTSHDPRD-UHFFFAOYSA-N
Compound name
2-(6-oxopiperidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.8
[M+Na]+ 180.063118 138.2
[M-H]- 156.066624 131.7
[M+NH4]+ 175.107723 150.6
[M+K]+ 196.037058 136.4
[M+H-H2O]+ 140.071160 127.1
[M+HCOO]- 202.072101 149.3
[M+CH3COO]- 216.087751 170.2
[M+Na-2H]- 178.048566 136.1
[M]+ 157.07335142 127.1
[M]- 157.07444858 127.1
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