CID 10043668

Makalikone ester

Structural Information

Molecular Formula
C19H28ClNO3
SMILES
CC(C)(C)C(CC(=C)C/C=C/C=C/Cl)OC(=O)[C@@H]1CCC(=O)N1C
InChI
InChI=1S/C19H28ClNO3/c1-14(9-7-6-8-12-20)13-16(19(2,3)4)24-18(23)15-10-11-17(22)21(15)5/h6-8,12,15-16H,1,9-11,13H2,2-5H3/b7-6+,12-8+/t15-,16?/m0/s1
InChIKey
PBUCOVRNOZGUGN-OPPOLKRCSA-N
Compound name
[(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl] (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.17578 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18306 187.5
[M+Na]+ 376.16500 192.5
[M-H]- 352.16850 188.7
[M+NH4]+ 371.20960 202.2
[M+K]+ 392.13894 187.1
[M+H-H2O]+ 336.17304 182.1
[M+HCOO]- 398.17398 198.0
[M+CH3COO]- 412.18963 212.6
[M+Na-2H]- 374.15045 182.3
[M]+ 353.17523 190.4
[M]- 353.17633 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.