CID 68804451

Rac-methyl 2-[(1r,2r)-2-([(tert-butoxy)carbonyl]amino)cyclohexyl]acetate

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC1CCCCC1CC(=O)OC
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-11-8-6-5-7-10(11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKey
LKOMMGVNCCVOEH-UHFFFAOYSA-N
Compound name
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 165.0
[M+Na]+ 294.16756 167.9
[M-H]- 270.17106 167.4
[M+NH4]+ 289.21216 181.1
[M+K]+ 310.14150 167.9
[M+H-H2O]+ 254.17560 158.9
[M+HCOO]- 316.17654 182.4
[M+CH3COO]- 330.19219 199.5
[M+Na-2H]- 292.15301 166.0
[M]+ 271.17779 164.5
[M]- 271.17889 164.5
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