CID 24846010

Verbindung sk 8 hcl

Structural Information

Molecular Formula
C14H22N2O3
SMILES
C1CCN(CC1)CCC2(CC(=CC=C2C(=O)O)N)O
InChI
InChI=1S/C14H22N2O3/c15-11-4-5-12(13(17)18)14(19,10-11)6-9-16-7-2-1-3-8-16/h4-5,19H,1-3,6-10,15H2,(H,17,18)
InChIKey
VASOFOOGUPCGTE-UHFFFAOYSA-N
Compound name
4-amino-6-hydroxy-6-(2-piperidin-1-ylethyl)cyclohexa-1,3-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.3
[M+Na]+ 289.15228 171.7
[M+NH4]+ 284.19688 170.7
[M+K]+ 305.12622 165.3
[M-H]- 265.15578 164.8
[M+Na-2H]- 287.13773 168.2
[M]+ 266.16251 164.6
[M]- 266.16361 164.6
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.