CID 87530809

2418594-48-4

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)O)CO
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-7(6-12)4-5-8(13)14/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKey
DCYLAKLDZHSCJV-SSDOTTSWSA-N
Compound name
(4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

233.12633 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 154.0
[M+Na]+ 256.11555 158.1
[M-H]- 232.11905 151.2
[M+NH4]+ 251.16015 170.1
[M+K]+ 272.08949 158.3
[M+H-H2O]+ 216.12359 149.0
[M+HCOO]- 278.12453 171.6
[M+CH3COO]- 292.14018 188.3
[M+Na-2H]- 254.10100 155.4
[M]+ 233.12578 155.3
[M]- 233.12688 155.3
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