CID 2756128

4-(((9h-fluoren-9-yl)methoxy)carbonyl)morpholine-2-carboxylic acid

Structural Information

Molecular Formula
C20H19NO5
SMILES
C1COC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO5/c22-19(23)18-11-21(9-10-25-18)20(24)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChIKey
TUZVFPRISNDQLQ-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

353.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 180.5
[M+Na]+ 376.11552 185.7
[M-H]- 352.11902 186.2
[M+NH4]+ 371.16012 193.1
[M+K]+ 392.08946 182.9
[M+H-H2O]+ 336.12356 172.3
[M+HCOO]- 398.12450 194.2
[M+CH3COO]- 412.14015 189.8
[M+Na-2H]- 374.10097 181.7
[M]+ 353.12575 180.3
[M]- 353.12685 180.3
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