CID 27281759

182370-56-5

Structural Information

Molecular Formula
C12H23NO5
SMILES
CCOC(=O)C[C@@H](CCNC(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H23NO5/c1-5-17-10(15)8-9(14)6-7-13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKey
UQTWSBWPFGVCAK-SECBINFHSA-N
Compound name
ethyl (3R)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.15762 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16490 162.8
[M+Na]+ 284.14684 166.7
[M-H]- 260.15034 161.2
[M+NH4]+ 279.19144 178.7
[M+K]+ 300.12078 167.3
[M+H-H2O]+ 244.15488 157.4
[M+HCOO]- 306.15582 181.3
[M+CH3COO]- 320.17147 196.1
[M+Na-2H]- 282.13229 163.8
[M]+ 261.15707 166.8
[M]- 261.15817 166.8
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