CID 40215

Brn 1256868

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN2CCCCC2)C(=O)OC
InChI
InChI=1S/C19H29NO3/c1-14(2)16-9-8-15(3)17(19(21)22-4)18(16)23-13-12-20-10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3
InChIKey
DSCOGGPZXUKTID-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-(2-piperidin-1-ylethoxy)-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 179.2
[M+Na]+ 342.203968 182.9
[M-H]- 318.207474 183.3
[M+NH4]+ 337.248573 192.1
[M+K]+ 358.177908 180.5
[M+H-H2O]+ 302.212010 170.4
[M+HCOO]- 364.212951 195.0
[M+CH3COO]- 378.228601 210.5
[M+Na-2H]- 340.189416 177.2
[M]+ 319.21420142 179.7
[M]- 319.21529858 179.7
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.