CID 100103

Einecs 276-255-9

Structural Information

Molecular Formula
C21H23NO4
SMILES
CCC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
QXVFEIPAZSXRGM-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

353.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.6
[M+Na]+ 376.15194 189.7
[M-H]- 352.15544 188.9
[M+NH4]+ 371.19654 200.9
[M+K]+ 392.12588 186.4
[M+H-H2O]+ 336.15998 178.8
[M+HCOO]- 398.16092 203.0
[M+CH3COO]- 412.17657 216.0
[M+Na-2H]- 374.13739 185.2
[M]+ 353.16217 187.8
[M]- 353.16327 187.8
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