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]+ 270.217606 164.5
[M+Na]+ 292.199548 165.6
[M-H]- 268.203054 165.5
[M+NH4]+ 287.244153 176.5
[M+K]+ 308.173488 167.2
[M+H-H2O]+ 252.207590 154.6
[M+HCOO]- 314.208531 174.7
[M+CH3COO]- 328.224181 194.1
[M+Na-2H]- 290.184996 163.3
[M]+ 269.20978142 155.2
[M]- 269.21087858 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.