CID 2756086

116821-47-7

Structural Information

Molecular Formula
C19H19NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(=O)O
InChI
InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKey
ACUIFAAXWDLLTR-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

325.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.2
[M+Na]+ 348.12062 186.3
[M+NH4]+ 343.16522 183.1
[M+K]+ 364.09456 181.8
[M-H]- 324.12412 177.5
[M+Na-2H]- 346.10607 179.3
[M]+ 325.13085 177.7
[M]- 325.13195 177.7
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