CID 167735959

3-ethynyl-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C21H17NO4
SMILES
C#CC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H17NO4/c1-2-21(19(23)24)12-22(13-21)20(25)26-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h1,3-10,18H,11-13H2,(H,23,24)
InChIKey
VZIKMBMEIRMWNC-UHFFFAOYSA-N
Compound name
3-ethynyl-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12303 181.3
[M+Na]+ 370.10497 188.7
[M+NH4]+ 365.14957 182.4
[M+K]+ 386.07891 181.1
[M-H]- 346.10847 172.7
[M+Na-2H]- 368.09042 180.7
[M]+ 347.11520 178.1
[M]- 347.11630 178.1
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.