CID 7018832

5854-78-4

Structural Information

Molecular Formula
C12H25NO3
SMILES
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9+/m1/s1
InChIKey
PPDIUNOGUIAFLV-BDAKNGLRSA-N
Compound name
tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

231.18344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 156.6
[M+Na]+ 254.17266 162.4
[M+NH4]+ 249.21726 161.6
[M+K]+ 270.14660 161.2
[M-H]- 230.17616 153.3
[M+Na-2H]- 252.15811 156.7
[M]+ 231.18289 156.2
[M]- 231.18399 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe