CID 132992784

2137688-95-8

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO5/c1-26-21(19(23)24)10-11-22(13-21)20(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,23,24)
InChIKey
FAMYABXQYPAHMQ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxypyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 187.1
[M+Na]+ 390.13119 193.6
[M-H]- 366.13469 193.2
[M+NH4]+ 385.17579 204.5
[M+K]+ 406.10513 189.9
[M+H-H2O]+ 350.13923 180.2
[M+HCOO]- 412.14017 203.7
[M+CH3COO]- 426.15582 211.5
[M+Na-2H]- 388.11664 186.7
[M]+ 367.14142 189.4
[M]- 367.14252 189.4
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.