CID 131017072

1935458-78-8

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1COCC1(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c23-19(24)11-21(9-10-26-13-21)22-20(25)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChIKey
IQUDNPWJDFDTES-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 185.2
[M+Na]+ 390.13119 190.1
[M-H]- 366.13469 192.7
[M+NH4]+ 385.17579 202.0
[M+K]+ 406.10513 187.4
[M+H-H2O]+ 350.13923 179.1
[M+HCOO]- 412.14017 203.2
[M+CH3COO]- 426.15582 213.0
[M+Na-2H]- 388.11664 186.9
[M]+ 367.14142 186.6
[M]- 367.14252 186.6
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.