CID 2762291

73397-27-0

Structural Information

Molecular Formula
C12H23NO5
SMILES
CC(C)C[C@@H]([C@@H](C(=O)O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO5/c1-7(2)6-8(9(14)10(15)16)13-11(17)18-12(3,4)5/h7-9,14H,6H2,1-5H3,(H,13,17)(H,15,16)/t8-,9-/m0/s1
InChIKey
DJZCWTDKDFJARG-IUCAKERBSA-N
Compound name
(2S,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

261.15762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16490 161.5
[M+Na]+ 284.14684 165.2
[M+NH4]+ 279.19144 164.4
[M+K]+ 300.12078 165.8
[M-H]- 260.15034 156.1
[M+Na-2H]- 282.13229 159.2
[M]+ 261.15707 159.8
[M]- 261.15817 159.8
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