CID 2756092

8-(9-fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid

Structural Information

Molecular Formula
C21H23NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCC(=O)O
InChI
InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24)
InChIKey
XQPYRJIMPDBGRW-UHFFFAOYSA-N
Compound name
2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2893
Patents

385.15253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 188.9
[M+Na]+ 408.14175 193.1
[M-H]- 384.14525 192.0
[M+NH4]+ 403.18635 202.8
[M+K]+ 424.11569 190.2
[M+H-H2O]+ 368.14979 181.2
[M+HCOO]- 430.15073 208.7
[M+CH3COO]- 444.16638 218.5
[M+Na-2H]- 406.12720 191.4
[M]+ 385.15198 195.2
[M]- 385.15308 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

literature stripe

Patent stripe

patents stripe