CID 44784801

Fmoc-l-2-aminosuberic acid

Structural Information

Molecular Formula
C23H25NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCCC(=O)O)C(=O)O
InChI
InChI=1S/C23H25NO6/c25-21(26)13-3-1-2-12-20(22(27)28)24-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,1-3,12-14H2,(H,24,29)(H,25,26)(H,27,28)/t20-/m0/s1
InChIKey
IMAOCPQKEUWDNC-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)octanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

411.16818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.175456 197.8
[M+Na]+ 434.157398 200.3
[M-H]- 410.160904 199.3
[M+NH4]+ 429.202003 209.6
[M+K]+ 450.131338 196.9
[M+H-H2O]+ 394.165440 190.6
[M+HCOO]- 456.166381 213.4
[M+CH3COO]- 470.182031 223.4
[M+Na-2H]- 432.142846 196.6
[M]+ 411.16763142 201.0
[M]- 411.16872858 201.0
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.