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]+ 348.123026 184.7
[M+Na]+ 370.104968 193.7
[M-H]- 346.108474 187.8
[M+NH4]+ 365.149573 193.4
[M+K]+ 386.078908 188.5
[M+H-H2O]+ 330.113010 167.3
[M+HCOO]- 392.113951 194.9
[M+CH3COO]- 406.129601 216.6
[M+Na-2H]- 368.090416 184.4
[M]+ 347.11520142 188.3
[M]- 347.11629858 188.3
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.