CID 69909588

347186-39-4

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)CC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10-6-4-5-9(7-10)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-,10+/m0/s1
InChIKey
NIMCENZKSRCKGF-VHSXEESVSA-N
Compound name
2-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 160.4
[M+Na]+ 280.15194 166.5
[M+NH4]+ 275.19654 165.6
[M+K]+ 296.12588 163.9
[M-H]- 256.15544 159.2
[M+Na-2H]- 278.13739 161.5
[M]+ 257.16217 160.4
[M]- 257.16327 160.4
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