CID 71757097

Tert-butyl 2-[(piperidin-3-ylmethyl)carbamoyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C16H29N3O3
SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2CCCNC2
InChI
InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-9-5-7-13(19)14(20)18-11-12-6-4-8-17-10-12/h12-13,17H,4-11H2,1-3H3,(H,18,20)
InChIKey
GUSGLHDTRSXMKE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(piperidin-3-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2209 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.22818 178.3
[M+Na]+ 334.21012 178.8
[M-H]- 310.21362 179.1
[M+NH4]+ 329.25472 190.5
[M+K]+ 350.18406 176.8
[M+H-H2O]+ 294.21816 170.1
[M+HCOO]- 356.21910 189.9
[M+CH3COO]- 370.23475 202.8
[M+Na-2H]- 332.19557 176.1
[M]+ 311.22035 171.5
[M]- 311.22145 171.5
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.