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 166.4
[M+Na]+ 292.19955 171.5
[M+NH4]+ 287.24415 171.1
[M+K]+ 308.17349 171.0
[M-H]- 268.20305 165.3
[M+Na-2H]- 290.18500 168.1
[M]+ 269.20978 166.3
[M]- 269.21088 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.