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]+ 340.117976 178.6
[M+Na]+ 362.099918 184.1
[M-H]- 338.103424 183.1
[M+NH4]+ 357.144523 188.2
[M+K]+ 378.073858 183.4
[M+H-H2O]+ 322.107960 166.6
[M+HCOO]- 384.108901 193.0
[M+CH3COO]- 398.124551 207.6
[M+Na-2H]- 360.085366 180.2
[M]+ 339.11015142 188.4
[M]- 339.11124858 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.