CID 12634

669-49-8

Structural Information

Molecular Formula
C13H22NO
SMILES
CC1=C(C(=CC=C1)C)OCC[N+](C)(C)C
InChI
InChI=1S/C13H22NO/c1-11-7-6-8-12(2)13(11)15-10-9-14(3,4)5/h6-8H,9-10H2,1-5H3/q+1
InChIKey
RXYWAURTGUPANZ-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

208.17014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.177416 146.6
[M+Na]+ 231.159358 154.1
[M-H]- 207.162864 152.2
[M+NH4]+ 226.203963 166.7
[M+K]+ 247.133298 147.4
[M+H-H2O]+ 191.167400 143.7
[M+HCOO]- 253.168341 170.6
[M+CH3COO]- 267.183991 189.0
[M+Na-2H]- 229.144806 155.2
[M]+ 208.16959142 149.2
[M]- 208.17068858 149.2
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