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
cis-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]+ 228.195796 152.0
[M+Na]+ 250.177738 159.0
[M-H]- 226.181244 155.3
[M+NH4]+ 245.222343 176.0
[M+K]+ 266.151678 158.1
[M+H-H2O]+ 210.185780 149.5
[M+HCOO]- 272.186721 171.5
[M+CH3COO]- 286.202371 193.0
[M+Na-2H]- 248.163186 154.7
[M]+ 227.18797142 151.9
[M]- 227.18906858 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.