CID 103750540

1695443-84-5

Structural Information

Molecular Formula
C20H19NO5
SMILES
CN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(COC4)C(=O)O
InChI
InChI=1S/C20H19NO5/c1-21(20(18(22)23)11-25-12-20)19(24)26-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,22,23)
InChIKey
ORIAZSKJUJQLGQ-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 181.0
[M+Na]+ 376.11552 184.9
[M-H]- 352.11902 189.5
[M+NH4]+ 371.16012 190.7
[M+K]+ 392.08946 187.4
[M+H-H2O]+ 336.12356 168.8
[M+HCOO]- 398.12450 198.4
[M+CH3COO]- 412.14015 217.2
[M+Na-2H]- 374.10097 183.8
[M]+ 353.12575 193.0
[M]- 353.12685 193.0
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.