CID 2759232

1-formyl-4-piperidinecarboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CN(CCC1C(=O)O)C=O
InChI
InChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKey
IZNTWTMLHCGAJU-UHFFFAOYSA-N
Compound name
1-formylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

157.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 131.8
[M+Na]+ 180.063118 137.7
[M-H]- 156.066624 132.2
[M+NH4]+ 175.107723 150.4
[M+K]+ 196.037058 136.8
[M+H-H2O]+ 140.071160 125.9
[M+HCOO]- 202.072101 149.9
[M+CH3COO]- 216.087751 172.7
[M+Na-2H]- 178.048566 135.7
[M]+ 157.07335142 128.0
[M]- 157.07444858 128.0
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