CID 688637

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C18H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CO)C(=O)O
InChI
InChI=1S/C18H17NO5/c20-9-16(17(21)22)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-/m1/s1
InChIKey
JZTKZVJMSCONAK-MRXNPFEDSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1642
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

literature stripe

Patent stripe

patents stripe