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]+ 267.170336 163.5
[M+Na]+ 289.152278 166.9
[M-H]- 265.155784 164.6
[M+NH4]+ 284.196883 178.2
[M+K]+ 305.126218 163.6
[M+H-H2O]+ 249.160320 156.3
[M+HCOO]- 311.161261 177.9
[M+CH3COO]- 325.176911 193.8
[M+Na-2H]- 287.137726 164.7
[M]+ 266.16251142 156.1
[M]- 266.16360858 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.