CID 10715692

Fmoc-asp(oall)-oh

Structural Information

Molecular Formula
C22H21NO6
SMILES
C=CCOC(=O)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H21NO6/c1-2-11-28-20(24)12-19(21(25)26)23-22(27)29-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,25,26)/t19-/m0/s1
InChIKey
FBNFRRNBFASDKS-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

395.1369 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14418 192.1
[M+Na]+ 418.12612 199.8
[M+NH4]+ 413.17072 196.4
[M+K]+ 434.10006 197.4
[M-H]- 394.12962 191.3
[M+Na-2H]- 416.11157 192.8
[M]+ 395.13635 192.3
[M]- 395.13745 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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