CID 13273792

90181-26-3

Structural Information

Molecular Formula
C15H31NO5Si
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C15H31NO5Si/c1-10(21-22(8,9)15(5,6)7)11(12(17)18)16-13(19)20-14(2,3)4/h10-11H,1-9H3,(H,16,19)(H,17,18)/t10-,11+/m1/s1
InChIKey
IIGKEAAYYNIBEN-MNOVXSKESA-N
Compound name
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.19714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20442 176.4
[M+Na]+ 356.18636 179.1
[M-H]- 332.18986 174.7
[M+NH4]+ 351.23096 189.0
[M+K]+ 372.16030 180.7
[M+H-H2O]+ 316.19440 172.1
[M+HCOO]- 378.19534 189.8
[M+CH3COO]- 392.21099 210.0
[M+Na-2H]- 354.17181 177.1
[M]+ 333.19659 180.2
[M]- 333.19769 180.2
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