CID 4393960

Fmoc-11-aun-oh

Structural Information

Molecular Formula
C26H33NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H33NO4/c28-25(29)17-7-5-3-1-2-4-6-12-18-27-26(30)31-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h8-11,13-16,24H,1-7,12,17-19H2,(H,27,30)(H,28,29)
InChIKey
IMEVDILDSCXKJW-UHFFFAOYSA-N
Compound name
11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

423.24097 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.248246 207.6
[M+Na]+ 446.230188 209.9
[M-H]- 422.233694 209.6
[M+NH4]+ 441.274793 220.0
[M+K]+ 462.204128 204.3
[M+H-H2O]+ 406.238230 199.2
[M+HCOO]- 468.239171 225.1
[M+CH3COO]- 482.254821 228.8
[M+Na-2H]- 444.215636 206.8
[M]+ 423.24042142 212.5
[M]- 423.24151858 212.5
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