CID 61686366

2680541-93-7

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]+ 240.207046 157.3
[M+Na]+ 262.188988 157.6
[M-H]- 238.192494 157.5
[M+NH4]+ 257.233593 168.4
[M+K]+ 278.162928 158.6
[M+H-H2O]+ 222.197030 146.8
[M+HCOO]- 284.197971 167.1
[M+CH3COO]- 298.213621 190.7
[M+Na-2H]- 260.174436 157.3
[M]+ 239.19922142 145.0
[M]- 239.20031858 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.