CID 40423784

Fmoc-asp-ome

Structural Information

Molecular Formula
C20H19NO6
SMILES
COC(=O)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKey
UEUZUMRMWJUEMK-KRWDZBQOSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

369.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.2
[M+Na]+ 392.11047 192.4
[M+NH4]+ 387.15507 189.2
[M+K]+ 408.08441 190.5
[M-H]- 368.11397 183.8
[M+Na-2H]- 390.09592 185.5
[M]+ 369.12070 184.7
[M]- 369.12180 184.7
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

patents stripe