CID 82667323

Tert-butyl 3-[(piperidin-4-yl)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CC2CCNCC2
InChI
InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-6-13(11-17)10-12-4-7-16-8-5-12/h12-13,16H,4-11H2,1-3H3
InChIKey
KTJJEPOLJHRYDR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(piperidin-4-ylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

268.2151 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.222376 169.8
[M+Na]+ 291.204318 171.7
[M-H]- 267.207824 170.6
[M+NH4]+ 286.248923 184.3
[M+K]+ 307.178258 169.3
[M+H-H2O]+ 251.212360 161.9
[M+HCOO]- 313.213301 181.2
[M+CH3COO]- 327.228951 193.1
[M+Na-2H]- 289.189766 168.2
[M]+ 268.21455142 163.2
[M]- 268.21564858 163.2
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