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 179.0
[M+Na]+ 374.13628 186.7
[M-H]- 350.13978 186.3
[M+NH4]+ 369.18088 191.7
[M+K]+ 390.11022 181.6
[M+H-H2O]+ 334.14432 173.1
[M+HCOO]- 396.14526 198.2
[M+CH3COO]- 410.16091 214.2
[M+Na-2H]- 372.12173 182.7
[M]+ 351.14651 184.1
[M]- 351.14761 184.1
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.