CID 3072341

Brn 5446332

Structural Information

Molecular Formula
C15H21Cl2NO3
SMILES
COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N2CCCCC2)OC
InChI
InChI=1S/C15H21Cl2NO3/c1-4-8-14(17)13(19)11(16)12(15(14,20-2)21-3)18-9-6-5-7-10-18/h4H,1,5-10H2,2-3H3
InChIKey
XBZFJYZYYPCKAO-UHFFFAOYSA-N
Compound name
2,5-dichloro-4,4-dimethoxy-3-piperidin-1-yl-5-prop-2-enylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09712 170.4
[M+Na]+ 356.07906 179.4
[M-H]- 332.08256 175.0
[M+NH4]+ 351.12366 190.2
[M+K]+ 372.05300 173.9
[M+H-H2O]+ 316.08710 165.9
[M+HCOO]- 378.08804 179.7
[M+CH3COO]- 392.10369 205.3
[M+Na-2H]- 354.06451 170.6
[M]+ 333.08929 173.4
[M]- 333.09039 173.4
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.