CID 112589620

4-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-12(2,3)18-8-7-9(10(15)16)14-11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKey
CLZGRHJSOQWDPX-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxy]-2-[(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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 164.9
[M+Na]+ 298.16250 169.3
[M+NH4]+ 293.20710 168.0
[M+K]+ 314.13644 169.0
[M-H]- 274.16600 159.8
[M+Na-2H]- 296.14795 163.7
[M]+ 275.17273 163.5
[M]- 275.17383 163.5
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.