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 163.5
[M+Na]+ 289.15228 166.9
[M-H]- 265.15578 164.6
[M+NH4]+ 284.19688 178.2
[M+K]+ 305.12622 163.6
[M+H-H2O]+ 249.16032 156.3
[M+HCOO]- 311.16126 177.9
[M+CH3COO]- 325.17691 193.8
[M+Na-2H]- 287.13773 164.7
[M]+ 266.16251 156.1
[M]- 266.16361 156.1
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

No patent data available for this compound.