CID 2761508

201864-71-3

Structural Information

Molecular Formula
C19H19NO4
SMILES
C[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKey
LYMLSPRRJWJJQD-GFCCVEGCSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

325.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.9
[M+Na]+ 348.12062 181.3
[M-H]- 324.12412 179.7
[M+NH4]+ 343.16522 192.5
[M+K]+ 364.09456 177.8
[M+H-H2O]+ 308.12866 169.3
[M+HCOO]- 370.12960 195.1
[M+CH3COO]- 384.14525 209.2
[M+Na-2H]- 346.10607 177.8
[M]+ 325.13085 178.1
[M]- 325.13195 178.1
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