CID 3053313

3-(3-(1-allyl-2-methyl-3-propyl)piperidyl)phenol oxalate

Structural Information

Molecular Formula
C18H27NO
SMILES
CCCC1(CCCN(C1C)CC=C)C2=CC(=CC=C2)O
InChI
InChI=1S/C18H27NO/c1-4-10-18(16-8-6-9-17(20)14-16)11-7-13-19(12-5-2)15(18)3/h5-6,8-9,14-15,20H,2,4,7,10-13H2,1,3H3
InChIKey
JYVAFTVZRGGHKV-UHFFFAOYSA-N
Compound name
3-(2-methyl-1-prop-2-enyl-3-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.1
[M+Na]+ 296.19848 173.5
[M-H]- 272.20198 171.2
[M+NH4]+ 291.24308 184.5
[M+K]+ 312.17242 168.6
[M+H-H2O]+ 256.20652 160.5
[M+HCOO]- 318.20746 184.4
[M+CH3COO]- 332.22311 199.3
[M+Na-2H]- 294.18393 169.6
[M]+ 273.20871 165.1
[M]- 273.20981 165.1
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.