CID 7010016

Fmoc-l-beta-homoisoleucine

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC[C@H](C)[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-3-14(2)20(12-21(24)25)23-22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,20+/m0/s1
InChIKey
VHZUUIWBAYOCDD-VBKZILBWSA-N
Compound name
(3R,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

367.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.6
[M+Na]+ 390.16756 197.4
[M+NH4]+ 385.21216 194.7
[M+K]+ 406.14150 193.9
[M-H]- 366.17106 189.4
[M+Na-2H]- 388.15301 190.3
[M]+ 367.17779 189.7
[M]- 367.17889 189.7
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

patents stripe