CID 72208400

1283766-35-7

Structural Information

Molecular Formula
C15H21NO5
SMILES
C[C@@](CC1=CC=C(C=C1)O)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO5/c1-14(2,3)21-13(20)16-15(4,12(18)19)9-10-5-7-11(17)8-6-10/h5-8,17H,9H2,1-4H3,(H,16,20)(H,18,19)/t15-/m1/s1
InChIKey
VVFJCRNSRSSPOW-OAHLLOKOSA-N
Compound name
(2R)-3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 167.7
[M+Na]+ 318.131188 172.3
[M-H]- 294.134694 168.4
[M+NH4]+ 313.175793 181.3
[M+K]+ 334.105128 171.1
[M+H-H2O]+ 278.139230 162.0
[M+HCOO]- 340.140171 184.6
[M+CH3COO]- 354.155821 199.8
[M+Na-2H]- 316.116636 171.2
[M]+ 295.14142142 168.9
[M]- 295.14251858 168.9
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

No patent data available for this compound.