CID 2756098

123622-48-0

Structural Information

Molecular Formula
C20H21NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCC(=O)O
InChI
InChI=1S/C20H21NO4/c22-19(23)11-5-6-12-21-20(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,21,24)(H,22,23)
InChIKey
ULLSWWGYZWBPHK-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

339.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.1
[M+Na]+ 362.13628 185.3
[M-H]- 338.13978 183.5
[M+NH4]+ 357.18088 196.1
[M+K]+ 378.11022 181.0
[M+H-H2O]+ 322.14432 173.0
[M+HCOO]- 384.14526 199.9
[M+CH3COO]- 398.16091 211.2
[M+Na-2H]- 360.12173 182.6
[M]+ 339.14651 183.1
[M]- 339.14761 183.1
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