CID 3021237

3-methyl-2-(1-piperazinylmethyl)-3,4,5,6-tetrahydro-1(2h)-pentalenone hydrochloride

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC1C(C(=O)C2=C1CCC2)CN3CCNCC3
InChI
InChI=1S/C14H22N2O/c1-10-11-3-2-4-12(11)14(17)13(10)9-16-7-5-15-6-8-16/h10,13,15H,2-9H2,1H3
InChIKey
PKZJTLGWDYKIKP-UHFFFAOYSA-N
Compound name
3-methyl-2-(piperazin-1-ylmethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.9
[M+Na]+ 257.16244 166.8
[M+NH4]+ 252.20704 166.1
[M+K]+ 273.13638 164.1
[M-H]- 233.16594 159.6
[M+Na-2H]- 255.14789 159.9
[M]+ 234.17267 159.2
[M]- 234.17377 159.2
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.