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

97
Patents

325.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.9
[M+Na]+ 348.120618 181.3
[M-H]- 324.124124 179.7
[M+NH4]+ 343.165223 192.5
[M+K]+ 364.094558 177.8
[M+H-H2O]+ 308.128660 169.3
[M+HCOO]- 370.129601 195.1
[M+CH3COO]- 384.145251 209.2
[M+Na-2H]- 346.106066 177.8
[M]+ 325.13085142 178.1
[M]- 325.13194858 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