CID 28490

17349-56-3

Structural Information

Molecular Formula
C12H20NO
SMILES
CC1=CC(=CC=C1)OCC[N+](C)(C)C
InChI
InChI=1S/C12H20NO/c1-11-6-5-7-12(10-11)14-9-8-13(2,3)4/h5-7,10H,8-9H2,1-4H3/q+1
InChIKey
RAQJIHSUMGANBJ-UHFFFAOYSA-N
Compound name
trimethyl-[2-(3-methylphenoxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.1545 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.161776 142.7
[M+Na]+ 217.143718 149.7
[M-H]- 193.147224 148.1
[M+NH4]+ 212.188323 163.1
[M+K]+ 233.117658 143.3
[M+H-H2O]+ 177.151760 139.7
[M+HCOO]- 239.152701 167.1
[M+CH3COO]- 253.168351 184.9
[M+Na-2H]- 215.129166 152.5
[M]+ 194.15395142 144.6
[M]- 194.15504858 144.6
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

patents stripe