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]+ 235.180496 157.7
[M+Na]+ 257.162438 161.0
[M-H]- 233.165944 159.3
[M+NH4]+ 252.207043 174.3
[M+K]+ 273.136378 156.5
[M+H-H2O]+ 217.170480 149.1
[M+HCOO]- 279.171421 170.1
[M+CH3COO]- 293.187071 166.7
[M+Na-2H]- 255.147886 157.7
[M]+ 234.17267142 148.2
[M]- 234.17376858 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.