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

9
Patents

227.18852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 157.3
[M+Na]+ 250.177738 159.4
[M-H]- 226.181244 158.9
[M+NH4]+ 245.222343 174.6
[M+K]+ 266.151678 158.6
[M+H-H2O]+ 210.185780 151.4
[M+HCOO]- 272.186721 173.6
[M+CH3COO]- 286.202371 192.6
[M+Na-2H]- 248.163186 157.9
[M]+ 227.18797142 152.9
[M]- 227.18906858 152.9
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