CID 89810728

N-fmoc-(r)-3-(methylamino)butanoic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
C[C@H](CC(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-13(11-19(22)23)21(2)20(24)25-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11-12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKey
GXAUJSQFKHUHKZ-CYBMUJFWSA-N
Compound name
(3R)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

339.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.2
[M+Na]+ 362.13628 189.0
[M+NH4]+ 357.18088 186.1
[M+K]+ 378.11022 185.7
[M-H]- 338.13978 180.7
[M+Na-2H]- 360.12173 182.1
[M]+ 339.14651 180.7
[M]- 339.14761 180.7
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