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

2368
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.