CID 42614604

Tert-butyl n-[1-(pyrrolidin-3-yl)piperidin-4-yl]carbamate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2CCNC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-11-5-8-17(9-6-11)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKey
RYEDWVUQVIEGNA-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.21033 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 168.1
[M+Na]+ 292.19955 169.6
[M-H]- 268.20305 169.1
[M+NH4]+ 287.24415 182.2
[M+K]+ 308.17349 167.4
[M+H-H2O]+ 252.20759 160.1
[M+HCOO]- 314.20853 181.0
[M+CH3COO]- 328.22418 195.2
[M+Na-2H]- 290.18500 167.8
[M]+ 269.20978 160.5
[M]- 269.21088 160.5
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

patents stripe