CID 23138410

2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)OC
InChI
InChI=1S/C11H21NO5/c1-10(2,3)17-9(15)12-7(8(13)14)11(4,5)16-6/h7H,1-6H3,(H,12,15)(H,13,14)
InChIKey
CMDKCNNNIHQNQU-UHFFFAOYSA-N
Compound name
3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

247.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 156.2
[M+Na]+ 270.13119 161.0
[M+NH4]+ 265.17579 159.6
[M+K]+ 286.10513 161.2
[M-H]- 246.13469 151.2
[M+Na-2H]- 268.11664 155.5
[M]+ 247.14142 154.9
[M]- 247.14252 154.9
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

patents stripe