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]+ 296.14925 167.7
[M+Na]+ 318.13119 172.3
[M-H]- 294.13469 168.4
[M+NH4]+ 313.17579 181.3
[M+K]+ 334.10513 171.1
[M+H-H2O]+ 278.13923 162.0
[M+HCOO]- 340.14017 184.6
[M+CH3COO]- 354.15582 199.8
[M+Na-2H]- 316.11664 171.2
[M]+ 295.14142 168.9
[M]- 295.14252 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.