CID 129462826

2230808-50-9

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)[C@@H]2CCC[C@@H]2N
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-6-4-5-11(12)15/h11-12H,4-10,15H2,1-3H3/t11-,12+/m0/s1
InChIKey
CPAAPDJHETXHGX-NWDGAFQWSA-N
Compound name
tert-butyl 4-[(1R,2S)-2-aminocyclopentyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 168.3
[M+Na]+ 292.19955 171.1
[M-H]- 268.20305 170.5
[M+NH4]+ 287.24415 183.1
[M+K]+ 308.17349 169.4
[M+H-H2O]+ 252.20759 160.3
[M+HCOO]- 314.20853 182.0
[M+CH3COO]- 328.22418 198.2
[M+Na-2H]- 290.18500 166.6
[M]+ 269.20978 161.9
[M]- 269.21088 161.9
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.