CID 12039231

Tert-butyl (2s)-2-amino-3-cyclohexylpropanoate hydrochloride

Structural Information

Molecular Formula
C13H25NO2
SMILES
CC(C)(C)OC(=O)[C@@H](CC1CCCCC1)N
InChI
InChI=1S/C13H25NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3/t11-/m1/s1
InChIKey
BFHYVCSFGFKQIG-LLVKDONJSA-N
Compound name
tert-butyl (2R)-2-amino-3-cyclohexylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.18852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 156.3
[M+Na]+ 250.17774 163.2
[M+NH4]+ 245.22234 163.2
[M+K]+ 266.15168 159.3
[M-H]- 226.18124 156.7
[M+Na-2H]- 248.16319 158.7
[M]+ 227.18797 157.0
[M]- 227.18907 157.0
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