CID 116681389

2-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}azetidin-3-yl)propanoic acid

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]+ 352.15434 183.4
[M+Na]+ 374.13628 187.3
[M-H]- 350.13978 188.5
[M+NH4]+ 369.18088 191.1
[M+K]+ 390.11022 186.8
[M+H-H2O]+ 334.14432 170.3
[M+HCOO]- 396.14526 197.5
[M+CH3COO]- 410.16091 214.7
[M+Na-2H]- 372.12173 182.0
[M]+ 351.14651 193.1
[M]- 351.14761 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.