CID 61057953

1-(1-ethylpiperidin-4-yl)-1,4-diazepane

Structural Information

Molecular Formula
C12H25N3
SMILES
CCN1CCC(CC1)N2CCCNCC2
InChI
InChI=1S/C12H25N3/c1-2-14-9-4-12(5-10-14)15-8-3-6-13-7-11-15/h12-13H,2-11H2,1H3
InChIKey
GCKRQIOWUMFJIF-UHFFFAOYSA-N
Compound name
1-(1-ethylpiperidin-4-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.20485 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.212126 151.5
[M+Na]+ 234.194068 152.1
[M-H]- 210.197574 151.6
[M+NH4]+ 229.238673 163.7
[M+K]+ 250.168008 152.7
[M+H-H2O]+ 194.202110 141.0
[M+HCOO]- 256.203051 162.0
[M+CH3COO]- 270.218701 159.2
[M+Na-2H]- 232.179516 152.9
[M]+ 211.20430142 138.7
[M]- 211.20539858 138.7
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.