CID 208469

T 2444

Structural Information

Molecular Formula
C18H31N2O2
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C18H30N2O2/c1-14(2)16-9-8-15(3)12-17(16)22-13-18(21)19-10-7-11-20(4,5)6/h8-9,12,14H,7,10-11,13H2,1-6H3/p+1
InChIKey
UWKVEPSYJCWRIB-UHFFFAOYSA-O
Compound name
trimethyl-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23856 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.24584 175.9
[M+Na]+ 330.22778 180.0
[M-H]- 306.23128 180.5
[M+NH4]+ 325.27238 191.3
[M+K]+ 346.20172 172.9
[M+H-H2O]+ 290.23582 171.5
[M+HCOO]- 352.23676 197.6
[M+CH3COO]- 366.25241 210.6
[M+Na-2H]- 328.21323 179.9
[M]+ 307.23801 178.7
[M]- 307.23911 178.7
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.