CID 5149334

2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C9H17ClN2O
SMILES
CCN1CCN(CC1)C(=O)C(C)Cl
InChI
InChI=1S/C9H17ClN2O/c1-3-11-4-6-12(7-5-11)9(13)8(2)10/h8H,3-7H2,1-2H3
InChIKey
LIUXMOSNLGNOMA-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10294 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11022 145.6
[M+Na]+ 227.09216 151.4
[M-H]- 203.09566 145.4
[M+NH4]+ 222.13676 162.7
[M+K]+ 243.06610 148.9
[M+H-H2O]+ 187.10020 139.0
[M+HCOO]- 249.10114 157.0
[M+CH3COO]- 263.11679 184.9
[M+Na-2H]- 225.07761 147.2
[M]+ 204.10239 143.8
[M]- 204.10349 143.8
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.