CID 2756087

6-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid

Structural Information

Molecular Formula
C21H23NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C21H23NO4/c23-20(24)12-2-1-7-13-22-21(25)26-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,22,25)(H,23,24)
InChIKey
FPCPONSZWYDXRD-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2165
Patents

353.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.169996 184.7
[M+Na]+ 376.151938 189.5
[M-H]- 352.155444 187.9
[M+NH4]+ 371.196543 200.2
[M+K]+ 392.125878 184.9
[M+H-H2O]+ 336.159980 177.4
[M+HCOO]- 398.160921 204.1
[M+CH3COO]- 412.176571 214.1
[M+Na-2H]- 374.137386 186.7
[M]+ 353.16217142 188.1
[M]- 353.16326858 188.1
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

patents stripe