CID 43185759

3-(piperazin-1-yl)azepan-2-one hydrochloride

Structural Information

Molecular Formula
C10H19N3O
SMILES
C1CCNC(=O)C(C1)N2CCNCC2
InChI
InChI=1S/C10H19N3O/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13/h9,11H,1-8H2,(H,12,14)
InChIKey
WZIITQROMQTOAB-UHFFFAOYSA-N
Compound name
3-piperazin-1-ylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.15282 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 146.4
[M+Na]+ 220.14204 147.6
[M-H]- 196.14554 145.6
[M+NH4]+ 215.18664 158.3
[M+K]+ 236.11598 148.0
[M+H-H2O]+ 180.15008 136.4
[M+HCOO]- 242.15102 156.5
[M+CH3COO]- 256.16667 154.1
[M+Na-2H]- 218.12749 148.3
[M]+ 197.15227 131.9
[M]- 197.15337 131.9
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.