CID 116681389

1594944-87-2

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC(C1CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-13(20(23)24)14-10-22(11-14)21(25)26-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,13-14,19H,10-12H2,1H3,(H,23,24)
InChIKey
DARJLQWYOWCSLX-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 183.4
[M+Na]+ 374.136278 187.3
[M-H]- 350.139784 188.5
[M+NH4]+ 369.180883 191.1
[M+K]+ 390.110218 186.8
[M+H-H2O]+ 334.144320 170.3
[M+HCOO]- 396.145261 197.5
[M+CH3COO]- 410.160911 214.7
[M+Na-2H]- 372.121726 182.0
[M]+ 351.14651142 193.1
[M]- 351.14760858 193.1
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.