CID 154875959

2490322-68-2

Structural Information

Molecular Formula
C13H25NO2
SMILES
C[C@]1(CC[C@@H](C1(C)C)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO2/c1-11(2,3)16-10(15)13(6)8-7-9(14)12(13,4)5/h9H,7-8,14H2,1-6H3/t9-,13-/m0/s1
InChIKey
XTMYETXUUWVAGJ-ZANVPECISA-N
Compound name
tert-butyl (1R,3S)-3-amino-1,2,2-trimethylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.18852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 153.1
[M+Na]+ 250.17774 160.2
[M+NH4]+ 245.22234 162.7
[M+K]+ 266.15168 154.8
[M-H]- 226.18124 153.0
[M+Na-2H]- 248.16319 158.0
[M]+ 227.18797 154.2
[M]- 227.18907 154.2
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

No patent data available for this compound.