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]+ 296.149246 168.7
[M+Na]+ 318.131188 172.7
[M-H]- 294.134694 171.6
[M+NH4]+ 313.175793 183.3
[M+K]+ 334.105128 173.0
[M+H-H2O]+ 278.139230 161.7
[M+HCOO]- 340.140171 189.3
[M+CH3COO]- 354.155821 203.7
[M+Na-2H]- 316.116636 171.4
[M]+ 295.14142142 173.2
[M]- 295.14251858 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

No patent data available for this compound.