CID 7176372

(s)-3-(9h-fluoren-9-ylmethoxycarbonylamino)-pentanoic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-2-13(11-19(22)23)21-20(24)25-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,2,11-12H2,1H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKey
RUDHGDWNJABZLC-ZDUSSCGKSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

339.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.6
[M+Na]+ 362.13628 185.5
[M-H]- 338.13978 184.1
[M+NH4]+ 357.18088 196.6
[M+K]+ 378.11022 181.8
[M+H-H2O]+ 322.14432 173.7
[M+HCOO]- 384.14526 199.4
[M+CH3COO]- 398.16091 212.1
[M+Na-2H]- 360.12173 181.9
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.