CID 67951168

1380327-56-9

Structural Information

Molecular Formula
C19H17NO5
SMILES
C1C(CO1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H17NO5/c21-17(22)19(10-24-11-19)20-18(23)25-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,23)(H,21,22)
InChIKey
QUZXBKMAZQIBQR-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

339.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.117976 175.2
[M+Na]+ 362.099918 179.5
[M-H]- 338.103424 182.5
[M+NH4]+ 357.144523 185.0
[M+K]+ 378.073858 180.8
[M+H-H2O]+ 322.107960 163.3
[M+HCOO]- 384.108901 192.5
[M+CH3COO]- 398.124551 211.2
[M+Na-2H]- 360.085366 179.4
[M]+ 339.11015142 185.9
[M]- 339.11124858 185.9
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