CID 978345

Fmoc-cycloleucine

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-19(24)21(11-5-6-12-21)22-20(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,22,25)(H,23,24)
InChIKey
IECZEINPZOFWNU-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

420
Patents

351.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.1
[M+Na]+ 374.13628 188.1
[M-H]- 350.13978 190.0
[M+NH4]+ 369.18088 202.0
[M+K]+ 390.11022 183.7
[M+H-H2O]+ 334.14432 176.7
[M+HCOO]- 396.14526 201.9
[M+CH3COO]- 410.16091 193.0
[M+Na-2H]- 372.12173 184.0
[M]+ 351.14651 182.4
[M]- 351.14761 182.4
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