CID 137944793

2260918-06-5

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-12(2,3)18-8-9(7-10(15)16)14-11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKey
UZUKKJIUWXNGKR-SECBINFHSA-N
Compound name
(3R)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.180556 165.3
[M+Na]+ 298.162498 169.2
[M-H]- 274.166004 163.8
[M+NH4]+ 293.207103 180.8
[M+K]+ 314.136438 170.1
[M+H-H2O]+ 258.170540 160.6
[M+HCOO]- 320.171481 182.0
[M+CH3COO]- 334.187131 199.5
[M+Na-2H]- 296.147946 167.2
[M]+ 275.17273142 169.2
[M]- 275.17382858 169.2
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.