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
cis-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

3
Patents

285.15762 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 165.1
[M+Na]+ 308.146838 169.0
[M-H]- 284.150344 167.8
[M+NH4]+ 303.191443 180.7
[M+K]+ 324.120778 169.1
[M+H-H2O]+ 268.154880 159.2
[M+HCOO]- 330.155821 182.8
[M+CH3COO]- 344.171471 202.1
[M+Na-2H]- 306.132286 165.7
[M]+ 285.15707142 165.7
[M]- 285.15816858 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

patents stripe