CID 44825447

2260931-49-3

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC(C)(C)OC(=O)N(CCC(=O)O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16(10-9-13(17)18)20-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,18)
InChIKey
JRAPRTBHKBYHCK-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxyamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.14197 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 167.9
[M+Na]+ 318.13119 175.7
[M+NH4]+ 313.17579 172.6
[M+K]+ 334.10513 173.0
[M-H]- 294.13469 167.0
[M+Na-2H]- 316.11664 171.2
[M]+ 295.14142 168.3
[M]- 295.14252 168.3
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

No patent data available for this compound.