CID 13147058

2-(1-piperazinylmethyl)hexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C14H24N2O
SMILES
C1CCC2C(C1)CC(C2=O)CN3CCNCC3
InChI
InChI=1S/C14H24N2O/c17-14-12(10-16-7-5-15-6-8-16)9-11-3-1-2-4-13(11)14/h11-13,15H,1-10H2
InChIKey
CXIVCFHLKLMULL-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.19614 159.6
[M+Na]+ 259.17808 161.9
[M-H]- 235.18158 160.8
[M+NH4]+ 254.22268 176.0
[M+K]+ 275.15202 157.6
[M+H-H2O]+ 219.18612 151.0
[M+HCOO]- 281.18706 170.5
[M+CH3COO]- 295.20271 168.0
[M+Na-2H]- 257.16353 158.6
[M]+ 236.18831 148.7
[M]- 236.18941 148.7
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.