CID 2738302

Maybridge4_003684

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C1CCC(CC1)(CC(=O)NCC2=CC=CC=N2)CC(=O)O
InChI
InChI=1S/C16H22N2O3/c19-14(18-12-13-6-2-5-9-17-13)10-16(11-15(20)21)7-3-1-4-8-16/h2,5-6,9H,1,3-4,7-8,10-12H2,(H,18,19)(H,20,21)
InChIKey
FGOKWEDBZPMSRS-UHFFFAOYSA-N
Compound name
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 169.4
[M+Na]+ 313.152278 171.5
[M-H]- 289.155784 171.7
[M+NH4]+ 308.196883 183.4
[M+K]+ 329.126218 168.6
[M+H-H2O]+ 273.160320 161.1
[M+HCOO]- 335.161261 186.0
[M+CH3COO]- 349.176911 199.3
[M+Na-2H]- 311.137726 172.2
[M]+ 290.16251142 164.7
[M]- 290.16360858 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.