CID 125422005

2094859-65-9

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC1(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-19(24)11-21(9-10-21)13-22-20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChIKey
NCRJFSYKAMMNSS-UHFFFAOYSA-N
Compound name
2-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.7
[M+Na]+ 374.13628 196.8
[M+NH4]+ 369.18088 193.9
[M+K]+ 390.11022 191.2
[M-H]- 350.13978 194.7
[M+Na-2H]- 372.12173 192.5
[M]+ 351.14651 190.4
[M]- 351.14761 190.4
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.