CID 11760344

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

Structural Information

Molecular Formula
C22H25NO4
SMILES
CN(CCCCCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-23(14-8-2-3-13-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25)
InChIKey
PNRDWMGJZQEECF-UHFFFAOYSA-N
Compound name
6-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

367.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 190.3
[M+Na]+ 390.167558 194.7
[M-H]- 366.171064 194.8
[M+NH4]+ 385.212163 205.8
[M+K]+ 406.141498 191.3
[M+H-H2O]+ 350.175600 182.7
[M+HCOO]- 412.176541 209.8
[M+CH3COO]- 426.192191 220.3
[M+Na-2H]- 388.153006 190.9
[M]+ 367.17779142 195.2
[M]- 367.17888858 195.2
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

patents stripe