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 152.0
[M+Na]+ 250.17774 159.0
[M-H]- 226.18124 155.3
[M+NH4]+ 245.22234 176.0
[M+K]+ 266.15168 158.1
[M+H-H2O]+ 210.18578 149.5
[M+HCOO]- 272.18672 171.5
[M+CH3COO]- 286.20237 193.0
[M+Na-2H]- 248.16319 154.7
[M]+ 227.18797 151.9
[M]- 227.18907 151.9
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

No patent data available for this compound.