CID 24730206

887986-01-8

Structural Information

Molecular Formula
C13H23NO5
SMILES
CCOC(=O)C1(CCC(C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO5/c1-5-18-10(16)13(7-6-9(15)8-13)14-11(17)19-12(2,3)4/h9,15H,5-8H2,1-4H3,(H,14,17)
InChIKey
CVBLNNNHPBYDIV-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

273.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.3
[M+Na]+ 296.14684 167.7
[M-H]- 272.15034 164.9
[M+NH4]+ 291.19144 182.3
[M+K]+ 312.12078 167.8
[M+H-H2O]+ 256.15488 159.2
[M+HCOO]- 318.15582 181.7
[M+CH3COO]- 332.17147 195.2
[M+Na-2H]- 294.13229 165.0
[M]+ 273.15707 164.3
[M]- 273.15817 164.3
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