CID 155822287

2550997-56-1

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)O[C@@H](CCNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H25NO5/c1-12(2,3)18-9(10(15)16)7-8-14-11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKey
POUPAUUECNTULF-VIFPVBQESA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxy]-4-[(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 165.3
[M+Na]+ 298.16250 169.2
[M-H]- 274.16600 163.8
[M+NH4]+ 293.20710 180.8
[M+K]+ 314.13644 170.1
[M+H-H2O]+ 258.17054 160.6
[M+HCOO]- 320.17148 182.0
[M+CH3COO]- 334.18713 199.5
[M+Na-2H]- 296.14795 167.2
[M]+ 275.17273 169.2
[M]- 275.17383 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.