CID 3048977

1-piperazineacetamide, n-(4-methylcyclohexyl)-

Structural Information

Molecular Formula
C13H25N3O
SMILES
CC1CCC(CC1)N2CCN(CC2)CC(=O)N
InChI
InChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h11-12H,2-10H2,1H3,(H2,14,17)
InChIKey
MXJJTLYINYLZTB-UHFFFAOYSA-N
Compound name
2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.19977 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.207046 160.9
[M+Na]+ 262.188988 162.7
[M-H]- 238.192494 162.3
[M+NH4]+ 257.233593 174.6
[M+K]+ 278.162928 160.0
[M+H-H2O]+ 222.197030 151.8
[M+HCOO]- 284.197971 173.9
[M+CH3COO]- 298.213621 195.2
[M+Na-2H]- 260.174436 160.1
[M]+ 239.19922142 151.2
[M]- 239.20031858 151.2
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