CID 50944203

4-ethylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCC1(CCNCC1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-2-8(7(10)11)3-5-9-6-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKey
KXKKAGIATNDDON-UHFFFAOYSA-N
Compound name
4-ethylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

157.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.2
[M+Na]+ 180.09950 141.0
[M-H]- 156.10300 135.0
[M+NH4]+ 175.14410 156.0
[M+K]+ 196.07344 139.3
[M+H-H2O]+ 140.10754 131.1
[M+HCOO]- 202.10848 152.1
[M+CH3COO]- 216.12413 170.4
[M+Na-2H]- 178.08495 140.8
[M]+ 157.10973 130.1
[M]- 157.11083 130.1
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