CID 17104

Amo 1618

Structural Information

Molecular Formula
C19H31N2O2
SMILES
CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)OC(=O)N2CCCCC2
InChI
InChI=1S/C19H31N2O2/c1-14(2)16-13-17(21(4,5)6)15(3)12-18(16)23-19(22)20-10-8-7-9-11-20/h12-14H,7-11H2,1-6H3/q+1
InChIKey
DAWHVWFOONWLEZ-UHFFFAOYSA-N
Compound name
trimethyl-[2-methyl-4-(piperidine-1-carbonyloxy)-5-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

19
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

literature stripe

Patent stripe

patents stripe