CID 25683

13078-70-1

Structural Information

Molecular Formula
C13H22NO2
SMILES
C[N+](C)(C)CCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C13H22NO2/c1-14(2,3)9-8-11-10-12(15-4)6-7-13(11)16-5/h6-7,10H,8-9H2,1-5H3/q+1
InChIKey
HOUXDSJGWZUASL-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.17233 150.3
[M+Na]+ 247.15427 157.8
[M-H]- 223.15777 155.9
[M+NH4]+ 242.19887 169.7
[M+K]+ 263.12821 151.6
[M+H-H2O]+ 207.16231 147.1
[M+HCOO]- 269.16325 174.6
[M+CH3COO]- 283.17890 191.0
[M+Na-2H]- 245.13972 159.0
[M]+ 224.16450 154.3
[M]- 224.16560 154.3
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.