CID 17040133

Fmoc-l-homocyclohexylalanine

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CCC(CC1)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22-23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
KYXCSTPOLMVGMS-QHCPKHFHSA-N
Compound name
(2S)-4-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

407.20966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 199.5
[M+Na]+ 430.19888 208.1
[M+NH4]+ 425.24348 206.3
[M+K]+ 446.17282 203.3
[M-H]- 406.20238 202.7
[M+Na-2H]- 428.18433 202.3
[M]+ 407.20911 201.2
[M]- 407.21021 201.2
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