CID 129963996

1199780-15-8

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(CN(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C21H23NO4/c1-21(2,19(23)24)13-22(3)20(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,12-13H2,1-3H3,(H,23,24)
InChIKey
ULJWEEHIHNVYKU-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 182.9
[M+Na]+ 376.15194 192.4
[M+NH4]+ 371.19654 189.5
[M+K]+ 392.12588 189.4
[M-H]- 352.15544 183.9
[M+Na-2H]- 374.13739 185.9
[M]+ 353.16217 184.3
[M]- 353.16327 184.3
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.