CID 15287823

172965-84-3

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-20(11-10-18(21)22)19(23)24-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,21,22)
InChIKey
QZUDWCRKKTVLLX-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

325.1314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.1
[M+Na]+ 348.12062 181.9
[M-H]- 324.12412 181.2
[M+NH4]+ 343.16522 193.4
[M+K]+ 364.09456 179.2
[M+H-H2O]+ 308.12866 169.1
[M+HCOO]- 370.12960 196.8
[M+CH3COO]- 384.14525 211.5
[M+Na-2H]- 346.10607 178.3
[M]+ 325.13085 180.1
[M]- 325.13195 180.1
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

patents stripe