CID 111188

Nsc 11876

Structural Information

Molecular Formula
C19H31N2O2
SMILES
CC1=C(C(=C(C=C1)OC(=O)N2CCCCC2)C(C)C)[N+](C)(C)C
InChI
InChI=1S/C19H31N2O2/c1-14(2)17-16(11-10-15(3)18(17)21(4,5)6)23-19(22)20-12-8-7-9-13-20/h10-11,14H,7-9,12-13H2,1-6H3/q+1
InChIKey
URYDVRWCVQGSMG-UHFFFAOYSA-N
Compound name
trimethyl-[6-methyl-3-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24584 176.9
[M+Na]+ 342.22778 189.6
[M+NH4]+ 337.27238 185.2
[M+K]+ 358.20172 184.5
[M-H]- 318.23128 182.1
[M+Na-2H]- 340.21323 183.4
[M]+ 319.23801 180.5
[M]- 319.23911 180.5
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.