CID 59676815

365997-33-7

Structural Information

Molecular Formula
C14H25NO5
SMILES
CCOC(=O)[C@H]1CC[C@H]([C@@H](C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m0/s1
InChIKey
YFFMJGAVWORNIZ-HBNTYKKESA-N
Compound name
ethyl (1S,3R,4R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

287.17328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 167.3
[M+Na]+ 310.16250 170.5
[M-H]- 286.16600 168.5
[M+NH4]+ 305.20710 182.1
[M+K]+ 326.13644 170.3
[M+H-H2O]+ 270.17054 161.5
[M+HCOO]- 332.17148 183.3
[M+CH3COO]- 346.18713 200.5
[M+Na-2H]- 308.14795 167.3
[M]+ 287.17273 166.7
[M]- 287.17383 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe