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]+ 352.154336 179.0
[M+Na]+ 374.136278 186.7
[M-H]- 350.139784 186.3
[M+NH4]+ 369.180883 191.7
[M+K]+ 390.110218 181.6
[M+H-H2O]+ 334.144320 173.1
[M+HCOO]- 396.145261 198.2
[M+CH3COO]- 410.160911 214.2
[M+Na-2H]- 372.121726 182.7
[M]+ 351.14651142 184.1
[M]- 351.14760858 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.