CID 137965659

2230803-55-9

Structural Information

Molecular Formula
C24H23NO4
SMILES
C#CCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H23NO4/c1-2-11-24(22(26)27)12-14-25(15-13-24)23(28)29-16-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-10,21H,11-16H2,(H,26,27)
InChIKey
NOCXFRKABFNAHB-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-prop-2-ynylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.169996 200.3
[M+Na]+ 412.151938 209.2
[M-H]- 388.155444 202.4
[M+NH4]+ 407.196543 212.9
[M+K]+ 428.125878 198.0
[M+H-H2O]+ 372.159980 185.9
[M+HCOO]- 434.160921 208.3
[M+CH3COO]- 448.176571 206.5
[M+Na-2H]- 410.137386 198.2
[M]+ 389.16217142 193.4
[M]- 389.16326858 193.4
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.