CID 42614328

885959-36-4

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2CCNC2
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-8-6-15(7-9-16)11-4-5-14-10-11/h11,14H,4-10H2,1-3H3
InChIKey
IZAYUAGLMWGXRH-UHFFFAOYSA-N
Compound name
tert-butyl 4-pyrrolidin-3-ylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20195 163.2
[M+Na]+ 278.18389 170.2
[M+NH4]+ 273.22849 168.7
[M+K]+ 294.15783 168.4
[M-H]- 254.18739 162.3
[M+Na-2H]- 276.16934 165.1
[M]+ 255.19412 163.4
[M]- 255.19522 163.4
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