CID 10946860

121616-32-8

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO4/c1-22-17(20)10-19-18(21)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKey
LNRZMDAFEJIQDM-UHFFFAOYSA-N
Compound name
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

311.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.123026 171.2
[M+Na]+ 334.104968 177.9
[M-H]- 310.108474 176.5
[M+NH4]+ 329.149573 189.3
[M+K]+ 350.078908 174.8
[M+H-H2O]+ 294.113010 164.2
[M+HCOO]- 356.113951 193.3
[M+CH3COO]- 370.129601 207.0
[M+Na-2H]- 332.090416 175.1
[M]+ 311.11520142 175.4
[M]- 311.11629858 175.4
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