CID 7131459

1-(piperazin-1-ylacetyl)azepane

Structural Information

Molecular Formula
C12H23N3O
SMILES
C1CCCN(CC1)C(=O)CN2CCNCC2
InChI
InChI=1S/C12H23N3O/c16-12(11-14-9-5-13-6-10-14)15-7-3-1-2-4-8-15/h13H,1-11H2
InChIKey
RGAKLRHYGVJQAA-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.18411 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.191386 153.1
[M+Na]+ 248.173328 152.8
[M-H]- 224.176834 153.0
[M+NH4]+ 243.217933 164.3
[M+K]+ 264.147268 154.0
[M+H-H2O]+ 208.181370 142.4
[M+HCOO]- 270.182311 163.1
[M+CH3COO]- 284.197961 186.8
[M+Na-2H]- 246.158776 154.2
[M]+ 225.18356142 140.0
[M]- 225.18465858 140.0
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.