CID 82379352

Tert-butyl 3-[(piperazin-1-yl)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CN2CCNCC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-7-4-12(11-17)10-16-8-5-15-6-9-16/h12,15H,4-11H2,1-3H3
InChIKey
OMOJZGCDPROOKB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(piperazin-1-ylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 167.5
[M+Na]+ 292.19955 174.3
[M+NH4]+ 287.24415 172.9
[M+K]+ 308.17349 172.3
[M-H]- 268.20305 166.5
[M+Na-2H]- 290.18500 169.2
[M]+ 269.20978 167.6
[M]- 269.21088 167.6
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

patents stripe