CID 2724630

35737-10-1

Structural Information

Molecular Formula
C18H17NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC(=O)O
InChI
InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)
InChIKey
LINBWYYLPWJQHE-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2716
Patents

311.11575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 170.7
[M+Na]+ 334.10497 176.9
[M-H]- 310.10847 174.6
[M+NH4]+ 329.14957 188.0
[M+K]+ 350.07891 173.0
[M+H-H2O]+ 294.11301 164.0
[M+HCOO]- 356.11395 191.3
[M+CH3COO]- 370.12960 205.3
[M+Na-2H]- 332.09042 174.3
[M]+ 311.11520 173.2
[M]- 311.11630 173.2
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