CID 125448957

2044773-70-6

Structural Information

Molecular Formula
C19H17NO5
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(C(=O)O)O
InChI
InChI=1S/C19H17NO5/c21-17(22)19(24)10-20(11-19)18(23)25-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16,24H,9-11H2,(H,21,22)
InChIKey
QLCBWAPLQFXHRG-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 178.6
[M+Na]+ 362.09992 184.1
[M-H]- 338.10342 183.1
[M+NH4]+ 357.14452 188.2
[M+K]+ 378.07386 183.4
[M+H-H2O]+ 322.10796 166.6
[M+HCOO]- 384.10890 193.0
[M+CH3COO]- 398.12455 207.6
[M+Na-2H]- 360.08537 180.2
[M]+ 339.11015 188.4
[M]- 339.11125 188.4
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.