CID 1939767

159990-12-2

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey
OPAAZWPTEYZZIW-LBPRGKRZSA-N
Compound name
(3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 168.2
[M+Na]+ 318.13119 175.8
[M+NH4]+ 313.17579 172.4
[M+K]+ 334.10513 173.5
[M-H]- 294.13469 166.7
[M+Na-2H]- 316.11664 170.6
[M]+ 295.14142 168.4
[M]- 295.14252 168.4
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