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

7
Patents

268.2151 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.22238 169.8
[M+Na]+ 291.20432 171.7
[M-H]- 267.20782 170.6
[M+NH4]+ 286.24892 184.3
[M+K]+ 307.17826 169.3
[M+H-H2O]+ 251.21236 161.9
[M+HCOO]- 313.21330 181.2
[M+CH3COO]- 327.22895 193.1
[M+Na-2H]- 289.18977 168.2
[M]+ 268.21455 163.2
[M]- 268.21565 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