CID 102670

14464-36-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
Patents

295.14197 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 168.4
[M+Na]+ 318.13119 175.7
[M+NH4]+ 313.17579 172.7
[M+K]+ 334.10513 173.2
[M-H]- 294.13469 166.9
[M+Na-2H]- 316.11664 171.1
[M]+ 295.14142 168.5
[M]- 295.14252 168.5
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

patents stripe