CID 111810

68928-63-2

Structural Information

Molecular Formula
C21H30NO
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[N+](C)(C)C
InChI
InChI=1S/C21H30NO/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5/h6-8,10-15H,9,16-17H2,1-5H3/q+1
InChIKey
PAUOGFGLUROWHL-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.24001 178.4
[M+Na]+ 335.22195 183.0
[M-H]- 311.22545 185.9
[M+NH4]+ 330.26655 193.4
[M+K]+ 351.19589 174.1
[M+H-H2O]+ 295.22999 173.1
[M+HCOO]- 357.23093 199.4
[M+CH3COO]- 371.24658 208.0
[M+Na-2H]- 333.20740 186.7
[M]+ 312.23218 180.2
[M]- 312.23328 180.2
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.