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

349
Patents

157.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.2
[M+Na]+ 180.099498 141.0
[M-H]- 156.103004 135.0
[M+NH4]+ 175.144103 156.0
[M+K]+ 196.073438 139.3
[M+H-H2O]+ 140.107540 131.1
[M+HCOO]- 202.108481 152.1
[M+CH3COO]- 216.124131 170.4
[M+Na-2H]- 178.084946 140.8
[M]+ 157.10973142 130.1
[M]- 157.11082858 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