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]+ 328.117976 173.6
[M+Na]+ 350.099918 179.2
[M-H]- 326.103424 177.5
[M+NH4]+ 345.144523 190.0
[M+K]+ 366.073858 176.6
[M+H-H2O]+ 310.107960 166.9
[M+HCOO]- 372.108901 193.2
[M+CH3COO]- 386.124551 208.4
[M+Na-2H]- 348.085366 176.2
[M]+ 327.11015142 176.9
[M]- 327.11124858 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.