CID 163597

1-piperazineacetamide, n-cyclohexyl-, dimethanesulfonate

Structural Information

Molecular Formula
C12H23N3O
SMILES
C1CCC(CC1)N2CCN(CC2)CC(=O)N
InChI
InChI=1S/C12H23N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h11H,1-10H2,(H2,13,16)
InChIKey
ZYYGJMCGJDUMOT-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.18411 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.19139 156.1
[M+Na]+ 248.17333 157.4
[M-H]- 224.17683 157.4
[M+NH4]+ 243.21793 170.1
[M+K]+ 264.14727 155.0
[M+H-H2O]+ 208.18137 146.9
[M+HCOO]- 270.18231 169.5
[M+CH3COO]- 284.19796 191.0
[M+Na-2H]- 246.15878 156.6
[M]+ 225.18356 145.6
[M]- 225.18466 145.6
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

patents stripe