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]+ 274.164896 163.3
[M+Na]+ 296.146838 167.7
[M-H]- 272.150344 164.9
[M+NH4]+ 291.191443 182.3
[M+K]+ 312.120778 167.8
[M+H-H2O]+ 256.154880 159.2
[M+HCOO]- 318.155821 181.7
[M+CH3COO]- 332.171471 195.2
[M+Na-2H]- 294.132286 165.0
[M]+ 273.15707142 164.3
[M]- 273.15816858 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