CID 136575891

2219373-89-2

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCC1(CCC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-20(25)9-10-22(11-12-27-14-22)23-21(26)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25)
InChIKey
JKHXXGWSFYCSNO-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolan-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 189.7
[M+Na]+ 404.146838 194.2
[M-H]- 380.150344 197.0
[M+NH4]+ 399.191443 206.0
[M+K]+ 420.120778 191.3
[M+H-H2O]+ 364.154880 183.4
[M+HCOO]- 426.155821 207.3
[M+CH3COO]- 440.171471 215.9
[M+Na-2H]- 402.132286 191.0
[M]+ 381.15707142 191.4
[M]- 381.15816858 191.4
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.