CID 167739302

Tert-butyl 3-(1,4-diazepan-1-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2CCCNCC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-5-12(11-17)16-8-4-6-15-7-10-16/h12,15H,4-11H2,1-3H3
InChIKey
NKDJEWIEBYUTAB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1,4-diazepan-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 164.5
[M+Na]+ 292.19955 165.6
[M-H]- 268.20305 165.5
[M+NH4]+ 287.24415 176.5
[M+K]+ 308.17349 167.2
[M+H-H2O]+ 252.20759 154.6
[M+HCOO]- 314.20853 174.7
[M+CH3COO]- 328.22418 194.1
[M+Na-2H]- 290.18500 163.3
[M]+ 269.20978 155.2
[M]- 269.21088 155.2
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

No patent data available for this compound.