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]+ 212.21213 151.5
[M+Na]+ 234.19407 152.1
[M-H]- 210.19757 151.6
[M+NH4]+ 229.23867 163.7
[M+K]+ 250.16801 152.7
[M+H-H2O]+ 194.20211 141.0
[M+HCOO]- 256.20305 162.0
[M+CH3COO]- 270.21870 159.2
[M+Na-2H]- 232.17952 152.9
[M]+ 211.20430 138.7
[M]- 211.20540 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.