CID 3021247

2-(1-piperazinylmethyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CCC2=C(C1)CC(C2=O)CN3CCNCC3
InChI
InChI=1S/C14H22N2O/c17-14-12(10-16-7-5-15-6-8-16)9-11-3-1-2-4-13(11)14/h12,15H,1-10H2
InChIKey
CXHLKLNBHBWMMR-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.7
[M+Na]+ 257.16244 161.0
[M-H]- 233.16594 159.3
[M+NH4]+ 252.20704 174.3
[M+K]+ 273.13638 156.5
[M+H-H2O]+ 217.17048 149.1
[M+HCOO]- 279.17142 170.1
[M+CH3COO]- 293.18707 166.7
[M+Na-2H]- 255.14789 157.7
[M]+ 234.17267 148.2
[M]- 234.17377 148.2
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

No patent data available for this compound.