CID 50986445

Tert-butyl 4-[(2s)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]2CCCN2
InChI
InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-7-16(8-10-17)12(18)11-5-4-6-15-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKey
MUWOCYONAOKDIN-NSHDSACASA-N
Compound name
tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1896 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.19688 171.1
[M+Na]+ 306.17882 173.4
[M-H]- 282.18232 170.9
[M+NH4]+ 301.22342 183.4
[M+K]+ 322.15276 171.7
[M+H-H2O]+ 266.18686 162.7
[M+HCOO]- 328.18780 180.9
[M+CH3COO]- 342.20345 194.5
[M+Na-2H]- 304.16427 169.1
[M]+ 283.18905 164.7
[M]- 283.19015 164.7
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.