CID 96839084

2348320-69-2

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1CN2CCNCC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-8-4-5-12(17)11-16-9-6-15-7-10-16/h12,15H,4-11H2,1-3H3/t12-/m1/s1
InChIKey
NJVDXHDTINFTPI-GFCCVEGCSA-N
Compound name
tert-butyl (2R)-2-(piperazin-1-ylmethyl)pyrrolidine-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 169.9
[M+Na]+ 292.19955 172.3
[M-H]- 268.20305 169.5
[M+NH4]+ 287.24415 182.9
[M+K]+ 308.17349 170.0
[M+H-H2O]+ 252.20759 161.2
[M+HCOO]- 314.20853 180.3
[M+CH3COO]- 328.22418 193.0
[M+Na-2H]- 290.18500 168.7
[M]+ 269.20978 163.5
[M]- 269.21088 163.5
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.