CID 7020776

172721-23-2

Structural Information

Molecular Formula
C18H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC[C@@H](C(=O)O)O
InChI
InChI=1S/C18H17NO5/c20-16(17(21)22)9-19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t16-/m0/s1
InChIKey
OOFCRVWLJFLVCB-INIZCTEOSA-N
Compound name
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 173.4
[M+Na]+ 350.09992 178.5
[M-H]- 326.10342 175.9
[M+NH4]+ 345.14452 189.0
[M+K]+ 366.07386 175.2
[M+H-H2O]+ 310.10796 167.0
[M+HCOO]- 372.10890 191.5
[M+CH3COO]- 386.12455 206.2
[M+Na-2H]- 348.08537 175.6
[M]+ 327.11015 174.9
[M]- 327.11125 174.9
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.