CID 66626875

Ethyl 2-[4-(boc-amino)cyclohexyl]acetate

Structural Information

Molecular Formula
C15H27NO4
SMILES
CCOC(=O)CC1CCC(CC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO4/c1-5-19-13(17)10-11-6-8-12(9-7-11)16-14(18)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)
InChIKey
GKBUJPUBSPCDGF-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

285.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 169.6
[M+Na]+ 308.18322 172.0
[M-H]- 284.18672 171.8
[M+NH4]+ 303.22782 185.1
[M+K]+ 324.15716 171.8
[M+H-H2O]+ 268.19126 163.3
[M+HCOO]- 330.19220 186.6
[M+CH3COO]- 344.20785 202.5
[M+Na-2H]- 306.16867 170.0
[M]+ 285.19345 169.4
[M]- 285.19455 169.4
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