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

13
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 165.6
[M+Na]+ 278.18389 168.4
[M-H]- 254.18739 165.4
[M+NH4]+ 273.22849 179.2
[M+K]+ 294.15783 166.3
[M+H-H2O]+ 238.19193 157.1
[M+HCOO]- 300.19287 176.3
[M+CH3COO]- 314.20852 190.0
[M+Na-2H]- 276.16934 164.9
[M]+ 255.19412 158.8
[M]- 255.19522 158.8
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