CID 61686366

1-{4-[(piperidin-3-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C13H25N3O
SMILES
CC(=O)N1CCCN(CC1)CC2CCCNC2
InChI
InChI=1S/C13H25N3O/c1-12(17)16-7-3-6-15(8-9-16)11-13-4-2-5-14-10-13/h13-14H,2-11H2,1H3
InChIKey
QPFIPHBKMGCDQH-UHFFFAOYSA-N
Compound name
1-[4-(piperidin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.19977 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.20705 157.3
[M+Na]+ 262.18899 157.6
[M-H]- 238.19249 157.5
[M+NH4]+ 257.23359 168.4
[M+K]+ 278.16293 158.6
[M+H-H2O]+ 222.19703 146.8
[M+HCOO]- 284.19797 167.1
[M+CH3COO]- 298.21362 190.7
[M+Na-2H]- 260.17444 157.3
[M]+ 239.19922 145.0
[M]- 239.20032 145.0
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.