CID 58678763

894790-01-3

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)NC(C1CCC(=O)CC1)C(=O)OC
InChI
InChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15-11(12(17)19-4)9-5-7-10(16)8-6-9/h9,11H,5-8H2,1-4H3,(H,15,18)
InChIKey
GGNLSAXWVSAWIV-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

285.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 165.3
[M+Na]+ 308.146838 168.1
[M-H]- 284.150344 167.8
[M+NH4]+ 303.191443 180.5
[M+K]+ 324.120778 168.7
[M+H-H2O]+ 268.154880 159.4
[M+HCOO]- 330.155821 182.1
[M+CH3COO]- 344.171471 201.7
[M+Na-2H]- 306.132286 165.4
[M]+ 285.15707142 165.0
[M]- 285.15816858 165.0
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