CID 13147068

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

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC1C2CCCCC2C(=O)C1CN3CCNCC3
InChI
InChI=1S/C15H26N2O/c1-11-12-4-2-3-5-13(12)15(18)14(11)10-17-8-6-16-7-9-17/h11-14,16H,2-10H2,1H3
InChIKey
GKDZHHXKMWLGLU-UHFFFAOYSA-N
Compound name
3-methyl-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

250.20451 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 164.4
[M+Na]+ 273.19373 167.2
[M-H]- 249.19723 165.8
[M+NH4]+ 268.23833 180.5
[M+K]+ 289.16767 162.6
[M+H-H2O]+ 233.20177 155.9
[M+HCOO]- 295.20271 174.9
[M+CH3COO]- 309.21836 172.7
[M+Na-2H]- 271.17918 162.1
[M]+ 250.20396 154.2
[M]- 250.20506 154.2
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.