CID 165882714

2111181-35-0

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCOC(=O)[C@H]1CCC(=O)[C@@H](C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,18)/t9-,10+/m0/s1
InChIKey
GAFVKMVRLWEFMU-VHSXEESVSA-N
Compound name
ethyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 165.1
[M+Na]+ 308.14684 169.0
[M-H]- 284.15034 167.8
[M+NH4]+ 303.19144 180.7
[M+K]+ 324.12078 169.1
[M+H-H2O]+ 268.15488 159.2
[M+HCOO]- 330.15582 182.8
[M+CH3COO]- 344.17147 202.1
[M+Na-2H]- 306.13229 165.7
[M]+ 285.15707 165.7
[M]- 285.15817 165.7
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

No patent data available for this compound.