CID 9997346

Makalika ester

Structural Information

Molecular Formula
C19H30ClNO2
SMILES
CC(C)(C)C(CC(=C)C/C=C/C=C/Cl)OC(=O)[C@@H]1CCCN1C
InChI
InChI=1S/C19H30ClNO2/c1-15(10-7-6-8-12-20)14-17(19(2,3)4)23-18(22)16-11-9-13-21(16)5/h6-8,12,16-17H,1,9-11,13-14H2,2-5H3/b7-6+,12-8+/t16-,17?/m0/s1
InChIKey
ACHIHHQMGVRBRM-GXDSLTBTSA-N
Compound name
[(7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl] (2S)-1-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1965 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20378 187.7
[M+Na]+ 362.18572 191.6
[M-H]- 338.18922 188.4
[M+NH4]+ 357.23032 202.7
[M+K]+ 378.15966 186.2
[M+H-H2O]+ 322.19376 181.8
[M+HCOO]- 384.19470 197.7
[M+CH3COO]- 398.21035 210.2
[M+Na-2H]- 360.17117 182.7
[M]+ 339.19595 189.4
[M]- 339.19705 189.4
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.