CID 137698933

2137687-82-0

Structural Information

Molecular Formula
C18H17NO5
SMILES
CC(C(=O)O)ONC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO5/c1-11(17(20)21)24-19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey
LLTVQTCVRBPRME-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 173.6
[M+Na]+ 350.09992 179.2
[M-H]- 326.10342 177.5
[M+NH4]+ 345.14452 190.0
[M+K]+ 366.07386 176.6
[M+H-H2O]+ 310.10796 166.9
[M+HCOO]- 372.10890 193.2
[M+CH3COO]- 386.12455 208.4
[M+Na-2H]- 348.08537 176.2
[M]+ 327.11015 176.9
[M]- 327.11125 176.9
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.