CID 3157471

1-cyclohexylpiperazin-2-one hydrochloride

Structural Information

Molecular Formula
C10H18N2O
SMILES
C1CCC(CC1)N2CCNCC2=O
InChI
InChI=1S/C10H18N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKey
OSFLFWJEDYTKEX-UHFFFAOYSA-N
Compound name
1-cyclohexylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

182.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 144.2
[M+Na]+ 205.13112 147.1
[M-H]- 181.13462 144.9
[M+NH4]+ 200.17572 159.9
[M+K]+ 221.10506 144.2
[M+H-H2O]+ 165.13916 135.8
[M+HCOO]- 227.14010 157.4
[M+CH3COO]- 241.15575 177.3
[M+Na-2H]- 203.11657 147.0
[M]+ 182.14135 133.5
[M]- 182.14245 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe