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

21
Patents

339.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 175.2
[M+Na]+ 362.09992 179.5
[M-H]- 338.10342 182.5
[M+NH4]+ 357.14452 185.0
[M+K]+ 378.07386 180.8
[M+H-H2O]+ 322.10796 163.3
[M+HCOO]- 384.10890 192.5
[M+CH3COO]- 398.12455 211.2
[M+Na-2H]- 360.08537 179.4
[M]+ 339.11015 185.9
[M]- 339.11125 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