CID 9725

370-83-2

Structural Information

Molecular Formula
C11H18NO
SMILES
C[N+](C)(C)CCOC1=CC=CC=C1
InChI
InChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKey
VCXBSHBJVUIQHJ-UHFFFAOYSA-N
Compound name
trimethyl(2-phenoxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

180.13884 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.146116 138.7
[M+Na]+ 203.128058 145.2
[M-H]- 179.131564 143.9
[M+NH4]+ 198.172663 159.3
[M+K]+ 219.101998 139.0
[M+H-H2O]+ 163.136100 135.7
[M+HCOO]- 225.137041 163.4
[M+CH3COO]- 239.152691 180.8
[M+Na-2H]- 201.113506 149.7
[M]+ 180.13829142 139.9
[M]- 180.13938858 139.9
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